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

C15H12N2 — CID 138566548

IUPAC4-(5-cyclopropyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CC3)cn2)cc1
InChIInChI=1S/C15H12N2/c16-9-11-1-3-13(4-2-11)15-8-7-14(10-17-15)12-5-6-12/h1-4,7-8,10,12H,5-6H2
InChIKeyJABFFVBYNPGKDV-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.50
Rot. Bonds2

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

4-(5-cyclopropyl-2-pyridinyl)benzonitrile (PubChem CID 138566548) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-pyridinyl)benzonitrile
PubChem CID138566548
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name4-(5-cyclopropyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CC3)cn2)cc1
InChIInChI=1S/C15H12N2/c16-9-11-1-3-13(4-2-11)15-8-7-14(10-17-15)12-5-6-12/h1-4,7-8,10,12H,5-6H2
InChIKeyJABFFVBYNPGKDV-UHFFFAOYSA-N
XLogP3.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-pyridinyl)benzonitrile?
The IUPAC name of 4-(5-cyclopropyl-2-pyridinyl)benzonitrile (CID 138566548) is 4-(5-cyclopropyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 4-(5-cyclopropyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 4-(5-cyclopropyl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccc(C3CC3)cn2)cc1.
What is the InChIKey of 4-(5-cyclopropyl-2-pyridinyl)benzonitrile?
The InChIKey is JABFFVBYNPGKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-9-11-1-3-13(4-2-11)15-8-7-14(10-17-15)12-5-6-12/h1-4,7-8,10,12H,5-6H2.
What are the key properties of 4-(5-cyclopropyl-2-pyridinyl)benzonitrile?
4-(5-cyclopropyl-2-pyridinyl)benzonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 138566548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).