AG002JLT

20826-04-4 | 3-Pyridinecarboxylic acid, 5-bromo-

AG002JLT

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CAS Number	20826-04-4
Catalog Number	AG002JLT(AGN-PC-0JLXLR)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-
EC Number	244-065-5
IUPAC Name	5-bromopyridine-3-carboxylic acid
InChI	InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
InChI Key	FQIUCPGDKPXSLL-UHFFFAOYSA-N
MDL Number	MFCD00009783
Molecular Formula	C6H4BrNO2
Molecular Weight	202.0055
NSC Number	9461
SMILES	OC(=O)c1cc(Br)cnc1
Synonyms	5-bromo-3-pyridinecarboxylic acid, 5-bromonicotinic acid, 5-Bromonicotinic acid, 20826-04-4, 5-Bromopyridine-3-carboxylic acid, 5-Bromo-3-pyridinecarboxylic acid, 5-Bromo Nicotinic Acid, 3-Pyridinecarboxylic acid, 5-bromo-, 5-bromo-nicotinic acid, Nicotinic acid, 5-bromo-, 3-bromo-5-pyridine carboxylic acid, MFCD00009783, MLS000737908, CHEMBL247336, 3-bromopyridine-5-carboxylic acid, FQIUCPGDKPXSLL-UHFFFAOYSA-N, 3-bromo pyridine-5-carboxylic acid, NSC 9461, EINECS 244-065-5, BRN 0115854, 5-Bromonicotinic acid, 98%, PubChem1211, ACMC-209fev, AC1L3GBC, Maybridge3_006031, AC1Q72YU, KSC201Q5F, TPC-PY044, SCHEMBL112388, Jsp004273, CTK1A1852, ZINC39490, DTXSID70174944, NSC9461, 3-bromo-5-pyridinecarboxylic acid, ZERENEX E/9072840, HMS1448C03, HMS2884O04, 3-bromo-5-pyridine-carboxylic acid, 5-bromo-pyridine-3-carboxylic acid, ACT02450, BCP27322, EBD53773, NSC-9461, ANW-24245, BBL010031, BDBM50216531, FC0317, RW1129, SBB003524, STK711127, WT1982, AKOS000119560, 20826-04-4 5-Bromonicotinic acid, AC-1735, CCG-245109, CM14037, CS-W020058, FS-1199, LS20729, MCULE-3401398565, RP17980, RTR-009797, SB10611, TRA0023800, IDI1_017418, 5-Bromopyridine-3-carboxylic acid, 98%, AJ-08852, AK-25583, AN-14662, BC002110, BC213725, BR-25583, LS-96532, SC-02379, SMR000528085, ST079753, SY001554, TL806116, AB0009448, AB1001224, DB-009074, TR-009797, 3-Pyridinecarboxylic acid, 5-bromo- (9CI), AM20050934, BB 0246832, FT-0084392, FT-0620167, ST24032963, MFCD00009783 (98%), 26B044, B-7799, B67478, EC 244-065-5, 14982-EP2280001A1, 14982-EP2316457A1, 5-22-02-00181 (Beilstein Handbook Reference), I02-0318, W-107593, F3095-3197, InChI=1/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10, Nicergoline impurity D, European Pharmacopoeia (EP) Reference Standard, C6H4BrNO2, ACN-S002222, CID88707, 5-Bromonicotinic acid, 98% - 10G 10g, B1818, A15364,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.943g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.007g/mol
Monoisotopic Mass	200.943g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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