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Home > Pyridines > 1187163-45-6
1187163-45-6 | 2-(3-Cyanobenzoyl)-5-methylpyridine
CAS No: 1187163-45-6 Catalog No: AG01FDQS MDL No:
Product Description
Catalog Number:
AG01FDQS
Chemical Name:
2-(3-Cyanobenzoyl)-5-methylpyridine
CAS Number:
1187163-45-6
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
3-(5-methylpyridine-2-carbonyl)benzonitrile
InChI:
InChI=1S/C14H10N2O/c1-10-5-6-13(16-9-10)14(17)12-4-2-3-11(7-12)8-15/h2-7,9H,1H3
InChI Key:
XDEGZSSAYJMWLQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)c1ccc(cn1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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