4-dimethylphosphorylpyridine-2-carbonitrile

C8H9N2OP — CID 146155917

IUPAC4-dimethylphosphorylpyridine-2-carbonitrile
SMILESCP(C)(=O)c1ccnc(C#N)c1
InChIInChI=1S/C8H9N2OP/c1-12(2,11)8-3-4-10-7(5-8)6-9/h3-5H,1-2H3
InChIKeyBEUALXMJSIXUDU-UHFFFAOYSA-N
MW180.15 g/mol
LogP1.20
Rot. Bonds1

About 4-dimethylphosphorylpyridine-2-carbonitrile

4-dimethylphosphorylpyridine-2-carbonitrile (PubChem CID 146155917) has the molecular formula C8H9N2OP and a molecular weight of 180.15 g/mol. Its IUPAC name is 4-dimethylphosphorylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-dimethylphosphorylpyridine-2-carbonitrile
PubChem CID146155917
Molecular FormulaC8H9N2OP
Molecular Weight180.15 g/mol
Exact Mass180.05
IUPAC Name4-dimethylphosphorylpyridine-2-carbonitrile
SMILESCP(C)(=O)c1ccnc(C#N)c1
InChIInChI=1S/C8H9N2OP/c1-12(2,11)8-3-4-10-7(5-8)6-9/h3-5H,1-2H3
InChIKeyBEUALXMJSIXUDU-UHFFFAOYSA-N
XLogP1.20
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-methanidylpyridine-2-carbonitrile;yttrium
CID 169217720
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
2-cyanopyridine-4-sulfonamide
CID 62926793
2-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
4-(2,3-dimethylbut-3-en-2-yl)pyridine-2-carbonitrile
CID 10607601
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
4-(3-methoxypropylsulfinylmethyl)pyridine-2-carbonitrile
CID 64689814
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
4-[[methyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63884796
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphorylpyridine-2-carbonitrile?
The IUPAC name of 4-dimethylphosphorylpyridine-2-carbonitrile (CID 146155917) is 4-dimethylphosphorylpyridine-2-carbonitrile.
What is the SMILES notation for 4-dimethylphosphorylpyridine-2-carbonitrile?
The canonical SMILES for 4-dimethylphosphorylpyridine-2-carbonitrile is CP(C)(=O)c1ccnc(C#N)c1.
What is the InChIKey of 4-dimethylphosphorylpyridine-2-carbonitrile?
The InChIKey is BEUALXMJSIXUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2OP/c1-12(2,11)8-3-4-10-7(5-8)6-9/h3-5H,1-2H3.
What are the key properties of 4-dimethylphosphorylpyridine-2-carbonitrile?
4-dimethylphosphorylpyridine-2-carbonitrile has a molecular weight of 180.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphorylpyridine-2-carbonitrile is sourced from PubChem (CID 146155917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).