CC1=C(C=CC=N1)C#N
CAS: 1721-23-9
Name: 2-methylpyridine-3-carbonitrile
SMILES: CC1=C(C=CC=N1)C#N

Molecular Processing

Molecular formula
C7H6N2
Molecular weight
118.14
Exact mass
118.0531
XLogP
1.26
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
33.69

Supplementary Information

InChIKey: UBKKNWJGYLSDSJ-UHFFFAOYSA-N
Synonyme
2-methylpyridine-3-carbonitrileRefChem:476232888-481-03-Cyano-2-methylpyridine1721-23-92-METHYLNICOTINONITRILE2-Methyl-3-cyanopyridineMFCD062544202-Methyl-nicotinonitrile3-PYRIDINECARBONITRILE, 2-METHYL-2-METHYL-3-PYRIDINECARBONITRILEmethylnicotinonitrile3-cyano-2methylpyridine3-cyano-2-methyl pyridine3-CYANO-2-PICOLINESCHEMBL155110SCHEMBL196578SCHEMBL4756498SCHEMBL5938473SCHEMBL13836000SCHEMBL29489584DTXSID70406191UBKKNWJGYLSDSJ-UHFFFAOYSA-NAB2931SBB055550AKOS002336169PB23449SY041601TS-01606DB-028466
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