AG000366

100910-66-5 | 3-Pyridinecarboxaldehyde, 5-methyl-

AG000366

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CAS Number	100910-66-5
Catalog Number	AG000366(AGN-PC-000L9P)
Chemical Name	3-Pyridinecarboxaldehyde, 5-methyl-
IUPAC Name	5-methylpyridine-3-carbaldehyde
InChI	InChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
InChI Key	BCSGDXYJDSJMFA-UHFFFAOYSA-N
MDL Number	MFCD08272078
Molecular Formula	C7H7NO
Molecular Weight	121.1366
SMILES	C(=O)c1cc(C)cnc1
Synonyms	5-METHYLNICOTINALDEHYDE, 100910-66-5, 5-methylpyridine-3-carbaldehyde, 5-Methylpyridine-3-carboxaldehyde, 5-methyl-3-pyridinecarboxaldehyde, 3-PYRIDINECARBOXALDEHYDE, 5-METHYL-, 5-methyl-pyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde,5-methyl-, ACMC-209zco, 3-formyl-5-methylpyridine, 5-methyl-nicotinic aldehyde, Nicotinamidase Inhibitor, 19, SCHEMBL1521255, 5-methyl-3-pyridinecarbaldehyde, 5-methyl-pyridin-3-carbaldehyde, BDBM92852, CTK3J9352, DTXSID30556449, 3-Methylpyridine-5-carboxaldehyde, BCSGDXYJDSJMFA-UHFFFAOYSA-N, 5-Methyl-3-pyridine carboxaldehyde, 5-methylnicotinaldehyde, AldrichCPR, KS-00000F7M, ANW-50086, BBL103731, MFCD08272078, STL557541, ZINC14983272, 5-METHYLPYRIDINE-3-CARBOXALDEH, AKOS006286004, CS-W019763, GS-4175, PB18860, RP00670, AC-27879, AJ-65877, AK-28384, AN-34381, BR-28384, CJ-14748, SC-47747, AB0034386, DB-003538, ST2412105, TR-000271, 4CH-006679, FT-0084550, FT-0650455, X8532, S-5252, 910M665, A800295, I02-0987, I02-1809, W-204391, C7H7NO, 3-Pyridinecarboxaldehyde, 5-methyl- (9CI),

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.053g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	121.139g/mol
Monoisotopic Mass	121.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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