4-(5-propyl-2-pyridinyl)benzonitrile

C15H14N2 — CID 606441

IUPAC4-(5-propyl-2-pyridinyl)benzonitrile
SMILESCCCc1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H14N2/c1-2-3-13-6-9-15(17-11-13)14-7-4-12(10-16)5-8-14/h4-9,11H,2-3H2,1H3
InChIKeyHYBZAFSPFHNSAB-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.57
Rot. Bonds3

About 4-(5-propyl-2-pyridinyl)benzonitrile

4-(5-propyl-2-pyridinyl)benzonitrile (PubChem CID 606441) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(5-propyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(5-propyl-2-pyridinyl)benzonitrile
PubChem CID606441
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(5-propyl-2-pyridinyl)benzonitrile
SMILESCCCc1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H14N2/c1-2-3-13-6-9-15(17-11-13)14-7-4-12(10-16)5-8-14/h4-9,11H,2-3H2,1H3
InChIKeyHYBZAFSPFHNSAB-UHFFFAOYSA-N
XLogP3.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Prothionamide
CID 666418
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651

Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(5-propyl-2-pyridinyl)benzonitrile (CID 606441) is 4-(5-propyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(5-propyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(5-propyl-2-pyridinyl)benzonitrile is CCCc1ccc(-c2ccc(C#N)cc2)nc1.
What is the InChIKey of 4-(5-propyl-2-pyridinyl)benzonitrile?
The InChIKey is HYBZAFSPFHNSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-3-13-6-9-15(17-11-13)14-7-4-12(10-16)5-8-14/h4-9,11H,2-3H2,1H3.
What are the key properties of 4-(5-propyl-2-pyridinyl)benzonitrile?
4-(5-propyl-2-pyridinyl)benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 606441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).