1-methyl-4-phenyl-4H-pyridine-3-carbonitrile

C13H12N2 — CID 15852857

IUPAC1-methyl-4-phenyl-4H-pyridine-3-carbonitrile
SMILESCN1C=CC(c2ccccc2)C(C#N)=C1
InChIInChI=1S/C13H12N2/c1-15-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-8,10,13H,1H3
InChIKeyMFXKAFOSYWWSQG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.64
Rot. Bonds1

About 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile

1-methyl-4-phenyl-4H-pyridine-3-carbonitrile (PubChem CID 15852857) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-phenyl-4H-pyridine-3-carbonitrile
PubChem CID15852857
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1-methyl-4-phenyl-4H-pyridine-3-carbonitrile
SMILESCN1C=CC(c2ccccc2)C(C#N)=C1
InChIInChI=1S/C13H12N2/c1-15-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-8,10,13H,1H3
InChIKeyMFXKAFOSYWWSQG-UHFFFAOYSA-N
XLogP2.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile (CID 15852857) is 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile is CN1C=CC(c2ccccc2)C(C#N)=C1.
What is the InChIKey of 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile?
The InChIKey is MFXKAFOSYWWSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-15-8-7-13(12(9-14)10-15)11-5-3-2-4-6-11/h2-8,10,13H,1H3.
What are the key properties of 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile?
1-methyl-4-phenyl-4H-pyridine-3-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-4H-pyridine-3-carbonitrile is sourced from PubChem (CID 15852857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).