AG002BHR

19840-44-9 | 5-Bromo-6-hydroxynicotinonitrile

AG002BHR

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CAS Number	19840-44-9
Catalog Number	AG002BHR(AGN-PC-0QPTN8)
Chemical Name	5-Bromo-6-hydroxynicotinonitrile
IUPAC Name	5-bromo-6-oxo-1H-pyridine-3-carbonitrile
InChI	InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChI Key	NCIBXYJEJGGUFF-UHFFFAOYSA-N
MDL Number	MFCD11100229
Molecular Formula	C6H3BrN2O
Molecular Weight	199.0048
SMILES	N#CC(C=C1Br)=CNC1=O
Synonyms	19840-44-9, 5-bromo-6-hydroxynicotinonitrile, 5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile, 5-bromo-6-hydroxypyridine-3-carbonitrile, 3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo-, 5-bromo-6-oxo-1H-pyridine-3-carbonitrile, bromohydroxynicotinonitrile, SCHEMBL16180597, CTK4E2513, DTXSID10652731, NCIBXYJEJGGUFF-UHFFFAOYSA-N, KS-000025FA, ZX-RL003019, 0197AB, FCH888144, MFCD11100229, SBB092401, ZINC22995838, AKOS005072734, AKOS024130454, CB-2565, GC-0704, MCULE-4106544964, QC-6470, RP11664, SB21374, ACM19840449, AJ-81546, AK-39238, OR303793, AX8201510, DB-011421, TR-009213, FT-0645381, A813985, J-517127, 5-bromanyl-6-oxidanylidene-1H-pyridine-3-carbonitrile, I14-26104, C6H3BrN2O, Nicotinonitrile,5-bromo-6-hydroxy-, Z-2004,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.943g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.007g/mol
Monoisotopic Mass	197.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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