2-phenylmethoxypyridine-3-carbonitrile

C13H10N2O — CID 12604511

IUPAC2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCc1ccccc1
InChIInChI=1S/C13H10N2O/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,10H2
InChIKeyHHNYDVRMLLZQMG-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.53
Rot. Bonds3

About 2-phenylmethoxypyridine-3-carbonitrile

2-phenylmethoxypyridine-3-carbonitrile (PubChem CID 12604511) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-phenylmethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenylmethoxypyridine-3-carbonitrile
PubChem CID12604511
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-phenylmethoxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCc1ccccc1
InChIInChI=1S/C13H10N2O/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,10H2
InChIKeyHHNYDVRMLLZQMG-UHFFFAOYSA-N
XLogP2.53
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenylmethoxypyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 39826155
2-[[4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
CID 68885915
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
CID 154733870
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
CID 68884540
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
CID 12529033

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxypyridine-3-carbonitrile?
The IUPAC name of 2-phenylmethoxypyridine-3-carbonitrile (CID 12604511) is 2-phenylmethoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-phenylmethoxypyridine-3-carbonitrile?
The canonical SMILES for 2-phenylmethoxypyridine-3-carbonitrile is N#Cc1cccnc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxypyridine-3-carbonitrile?
The InChIKey is HHNYDVRMLLZQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,10H2.
What are the key properties of 2-phenylmethoxypyridine-3-carbonitrile?
2-phenylmethoxypyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxypyridine-3-carbonitrile is sourced from PubChem (CID 12604511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).