AG0071FI

41668-13-7 | 5-Bromo-6-hydroxynicotinic acid

AG0071FI

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CAS Number	41668-13-7
Catalog Number	AG0071FI(AGN-PC-0KKQ5D)
Chemical Name	5-Bromo-6-hydroxynicotinic acid
IUPAC Name	5-bromo-6-oxo-1H-pyridine-3-carboxylic acid
InChI	InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
InChI Key	PQDLYKZCJBGXPQ-UHFFFAOYSA-N
MDL Number	MFCD08235173
Molecular Formula	C6H4BrNO3
Molecular Weight	218.0049
SMILES	O=C(O)C1=CN=C(O)C(Br)=C1
Synonyms	5-bromo-6-hydroxynicotinic acid, 41668-13-7, 5-Bromo-6-hydroxypyridine-3-carboxylic acid, 5-Bromo-6-hydroxy-3-pyridinecarboxylic acid, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carboxylic acid, 5-bromo-6-hydroxynicotinicacid, 5-bromo-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, 5-bromo-6-oxo-1H-pyridine-3-carboxylic Acid, 6-Hydroxy-5-bromonicotinic acid, 5-Bromo-6-hydroxy-nicotinic acid, 3-Pyridinecarboxylicacid, 5-bromo-1,6-dihydro-6-oxo-, 5-BROMO-1,6-DIHYDRO-6-OXO-3-PYRIDINECARBOXYLIC ACID, PubChem9825, zlchem 1121, ACMC-1ARBQ, AC1MC9M5, KSC235K8T, SCHEMBL1505622, CTK1D5589, DTXSID30377398, ZLD0589, PQDLYKZCJBGXPQ-UHFFFAOYSA-N, ZINC170119, bromooxodihydropyridinecarboxylicacid, ACT02449, EBD35562, KS-00000CK6, ANW-29655, CL0229, MFCD03791237, MFCD08235173, SBB052964, AKOS005071133, AKOS005255572, CB-2247, CS-W003480, MCULE-2721908549, QC-8268, RP05061, RP12594, RTR-016450, TRA0002190, VP11619, AJ-17394, AK-25057, AM808267, AN-12849, BC003484, BR-25057, CS-10552, R459, SC-90059, SY007563, AB0001512, AB0018167, AB1000989, DB-082195, ST2411865, TR-016450, 3-Bromo-2-hydroxy-5-pyridinecarboxylic acid, 4CH-009969, 5-Bromo-6-hydroxynicotinic acid, AldrichCPR, B5193, FT-0650465, 5-bromo-6-hydroxy-pyridine-3-carboxylic acid, 5-bromo-6-oxohydropyridine-3-carboxylic acid, EN300-90349, TL800742124, B-3349, MFCD08235173 (97+%), 668B137, 7W-0338, I02-2037, J-517128, F1907-2335, Z1262398560, null, C6H4BrNO3, AC-3579, ACN-027074, ACN-051424, CID2764314, A6860, C3400, 5-Bromo-6-hydroxynicotinic acid, 97% - 1G 1g,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.937g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.006g/mol
Monoisotopic Mass	216.937g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number