6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile

C15H12N2 — CID 69230670

IUPAC6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
SMILESC=CCc1ccc(-c2ccc(C#N)cn2)cc1
InChIInChI=1S/C15H12N2/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(10-16)11-17-15/h2,4-9,11H,1,3H2
InChIKeyKCZKBLQVDVZAEY-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.35
Rot. Bonds3

About 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile

6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile (PubChem CID 69230670) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
PubChem CID69230670
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
SMILESC=CCc1ccc(-c2ccc(C#N)cn2)cc1
InChIInChI=1S/C15H12N2/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(10-16)11-17-15/h2,4-9,11H,1,3H2
InChIKeyKCZKBLQVDVZAEY-UHFFFAOYSA-N
XLogP3.35
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile (CID 69230670) is 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile is C=CCc1ccc(-c2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile?
The InChIKey is KCZKBLQVDVZAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-3-12-4-7-14(8-5-12)15-9-6-13(10-16)11-17-15/h2,4-9,11H,1,3H2.
What are the key properties of 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile?
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 69230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).