3-amino-6-dimethylphosphorylpyridine-2-carbonitrile

C8H10N3OP — CID 167459534

IUPAC3-amino-6-dimethylphosphorylpyridine-2-carbonitrile
SMILESCP(C)(=O)c1ccc(N)c(C#N)n1
InChIInChI=1S/C8H10N3OP/c1-13(2,12)8-4-3-6(10)7(5-9)11-8/h3-4H,10H2,1-2H3
InChIKeyMCRAYVSORVFWBA-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.78
Rot. Bonds1

About 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile

3-amino-6-dimethylphosphorylpyridine-2-carbonitrile (PubChem CID 167459534) has the molecular formula C8H10N3OP and a molecular weight of 195.16 g/mol. Its IUPAC name is 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-dimethylphosphorylpyridine-2-carbonitrile
PubChem CID167459534
Molecular FormulaC8H10N3OP
Molecular Weight195.16 g/mol
Exact Mass195.06
IUPAC Name3-amino-6-dimethylphosphorylpyridine-2-carbonitrile
SMILESCP(C)(=O)c1ccc(N)c(C#N)n1
InChIInChI=1S/C8H10N3OP/c1-13(2,12)8-4-3-6(10)7(5-9)11-8/h3-4H,10H2,1-2H3
InChIKeyMCRAYVSORVFWBA-UHFFFAOYSA-N
XLogP0.78
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbonitrile
CID 103469587
6-dimethylphosphoryl-3-ethylpyridin-2-amine
CID 176568598
2-[(5-amino-6-cyano-2-pyridinyl)amino]-2-methylpropanamide
CID 103468133
3-amino-6-propoxypyridine-2-carbonitrile
CID 103469634
2-[(5-amino-6-cyano-2-pyridinyl)-methylamino]acetamide
CID 103467544
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
3-amino-6-[methyl(pentan-3-yl)amino]pyridine-2-carbonitrile
CID 103467619
3-amino-6-[2-(dimethylamino)ethoxy]pyridine-2-carbonitrile
CID 103469668
3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 103467207
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
CID 103467468
3-amino-6-(2-ethoxyethoxy)pyridine-2-carbonitrile
CID 103469516

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile (CID 167459534) is 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile is CP(C)(=O)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile?
The InChIKey is MCRAYVSORVFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3OP/c1-13(2,12)8-4-3-6(10)7(5-9)11-8/h3-4H,10H2,1-2H3.
What are the key properties of 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile?
3-amino-6-dimethylphosphorylpyridine-2-carbonitrile has a molecular weight of 195.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-dimethylphosphorylpyridine-2-carbonitrile is sourced from PubChem (CID 167459534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).