AG001BAW

13958-99-1 | 4-Pyridinecarboxamide, 3-bromo-

AG001BAW

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CAS Number	13958-99-1
Catalog Number	AG001BAW(AGN-PC-0NDT3Y)
Chemical Name	4-Pyridinecarboxamide, 3-bromo-
IUPAC Name	3-bromopyridine-4-carboxamide
InChI	InChI=1S/C6H5BrN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
InChI Key	YQOHJFWLALWBBP-UHFFFAOYSA-N
MDL Number	MFCD09702457
Molecular Formula	C6H5BrN2O
Molecular Weight	201.0207
SMILES	BrC1=C(C(=O)N)C=CN=C1
Synonyms	3-Bromoisonicotinamide, 13958-99-1, 3-bromopyridine-4-carboxamide, 3-bromo-isonicotinamide, PubChem22133, Isonicotinamide, 3-bromo-, 3-bromo-4-pyridinecarboxamide, SCHEMBL5700120, 4-Pyridinecarboxamide,3-bromo-, 3-bromanylpyridine-4-carboxamide, CTK4C1874, KS-00000HFJ, 4-Pyridinecarboxamide, 3-bromo-, DTXSID60450446, YQOHJFWLALWBBP-UHFFFAOYSA-N, CS-D1555, ANW-49809, MFCD09702457, ZINC14982306, AKOS015891636, FS-2957, RP25829, AJ-65631, AK-29834, BC004762, BR-29834, CJ-14684, SC-35791, SY013017, AB0022239, DB-081729, TC-138554, 4CH-008005, FT-0645804, ST24028466, W3053, MFCD09702457 (95%), S-5586, A807566, I02-0887, J-512108, Z1431513134, C6H5BrN2O, ACN-029283, CID10976513, 3-bromopyridine-4-carboxamide, 95% - 1G 1g,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.023g/mol
Monoisotopic Mass	199.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number