AG001ZCU

173999-48-9 | 3-Pyridinecarboxamide, 5-bromo-N-ethyl-

AG001ZCU

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CAS Number	173999-48-9
Catalog Number	AG001ZCU(AGN-PC-0WAB8Q)
Chemical Name	3-Pyridinecarboxamide, 5-bromo-N-ethyl-
IUPAC Name	5-bromo-N-ethylpyridine-3-carboxamide
InChI	InChI=1S/C8H9BrN2O/c1-2-11-8(12)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3,(H,11,12)
InChI Key	LBNZQARQDQMTGO-UHFFFAOYSA-N
MDL Number	MFCD09953023
Molecular Formula	C8H9BrN2O
Molecular Weight	229.0739
SMILES	O=C(NCC)C1=CN=CC(Br)=C1
Synonyms	5-BROMO-N-ETHYLNICOTINAMIDE, 173999-48-9, 5-Bromo-N-Ethylpyridine-3-Carboxamide, 3-Pyridinecarboxamide, 5-bromo-N-ethyl-, ACMC-209e7p, 5-Bromo-N-ethyl nicotinamide, KSC534Q5H, SCHEMBL3824227, CTK4D4853, KS-00000ZJA, DTXSID30622012, LBNZQARQDQMTGO-UHFFFAOYSA-N, ANW-22691, MFCD09953023, ZINC38537614, AKOS008920040, MCULE-1481528294, RTR-007719, AJ-96182, TR-007719, CS-0046807, V3798, B-3253, I14-24825, Z30281273, C8H9BrN2O,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.99g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.077g/mol
Monoisotopic Mass	227.99g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

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