4-methyl-2-phosphanylpyridine-3-carbonitrile

C7H7N2P — CID 169182998

IUPAC4-methyl-2-phosphanylpyridine-3-carbonitrile
SMILESCc1ccnc(P)c1C#N
InChIInChI=1S/C7H7N2P/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,10H2,1H3
InChIKeyHWQFFSUIHREPCW-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.76
Rot. Bonds

About 4-methyl-2-phosphanylpyridine-3-carbonitrile

4-methyl-2-phosphanylpyridine-3-carbonitrile (PubChem CID 169182998) has the molecular formula C7H7N2P and a molecular weight of 150.12 g/mol. Its IUPAC name is 4-methyl-2-phosphanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-phosphanylpyridine-3-carbonitrile
PubChem CID169182998
Molecular FormulaC7H7N2P
Molecular Weight150.12 g/mol
Exact Mass150.03
IUPAC Name4-methyl-2-phosphanylpyridine-3-carbonitrile
SMILESCc1ccnc(P)c1C#N
InChIInChI=1S/C7H7N2P/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,10H2,1H3
InChIKeyHWQFFSUIHREPCW-UHFFFAOYSA-N
XLogP0.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-methyl-2-phosphanylpyridine-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

ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109
3,4-dimethylpyridine-2-carbonitrile
CID 23003409
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-benzylsulfanyl-4-methylpyridine-3-carbonitrile
CID 5213146
2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
CID 161035113
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
ethane;3-fluoro-4-methylpyridine-2-carbonitrile
CID 156725109
(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
CID 122049397
6-methoxy-4-methylquinoline-5-carbonitrile
CID 82573234
2-amino-4-methylthieno[2,3-b]pyridine-3-carbonitrile;ethane
CID 169181365
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 106922418

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phosphanylpyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-phosphanylpyridine-3-carbonitrile (CID 169182998) is 4-methyl-2-phosphanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-phosphanylpyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-phosphanylpyridine-3-carbonitrile is Cc1ccnc(P)c1C#N.
What is the InChIKey of 4-methyl-2-phosphanylpyridine-3-carbonitrile?
The InChIKey is HWQFFSUIHREPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2P/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,10H2,1H3.
What are the key properties of 4-methyl-2-phosphanylpyridine-3-carbonitrile?
4-methyl-2-phosphanylpyridine-3-carbonitrile has a molecular weight of 150.12 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phosphanylpyridine-3-carbonitrile is sourced from PubChem (CID 169182998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).