2-(3-methylphenyl)pyridine-4-carbonitrile

C13H10N2 — CID 102306874

IUPAC2-(3-methylphenyl)pyridine-4-carbonitrile
SMILESCc1cccc(-c2cc(C#N)ccn2)c1
InChIInChI=1S/C13H10N2/c1-10-3-2-4-12(7-10)13-8-11(9-14)5-6-15-13/h2-8H,1H3
InChIKeyDDRNSNAXFAZFHO-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.93
Rot. Bonds1

About 2-(3-methylphenyl)pyridine-4-carbonitrile

2-(3-methylphenyl)pyridine-4-carbonitrile (PubChem CID 102306874) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(3-methylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylphenyl)pyridine-4-carbonitrile
PubChem CID102306874
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-(3-methylphenyl)pyridine-4-carbonitrile
SMILESCc1cccc(-c2cc(C#N)ccn2)c1
InChIInChI=1S/C13H10N2/c1-10-3-2-4-12(7-10)13-8-11(9-14)5-6-15-13/h2-8H,1H3
InChIKeyDDRNSNAXFAZFHO-UHFFFAOYSA-N
XLogP2.93
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-2-(3-methylphenyl)pyridine
CID 171365551
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-pyren-2-ylpyridine-4-carbonitrile
CID 118397173
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
3-(4-hydrazinyl-2-pyridinyl)benzonitrile
CID 102825226
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methylphenyl)pyridine-4-carbonitrile (CID 102306874) is 2-(3-methylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methylphenyl)pyridine-4-carbonitrile is Cc1cccc(-c2cc(C#N)ccn2)c1.
What is the InChIKey of 2-(3-methylphenyl)pyridine-4-carbonitrile?
The InChIKey is DDRNSNAXFAZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-10-3-2-4-12(7-10)13-8-11(9-14)5-6-15-13/h2-8H,1H3.
What are the key properties of 2-(3-methylphenyl)pyridine-4-carbonitrile?
2-(3-methylphenyl)pyridine-4-carbonitrile has a molecular weight of 194.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 102306874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).