7-chloronaphthalene-1-carbonitrile

C11H6ClN — CID 118988893

IUPAC7-chloronaphthalene-1-carbonitrile
SMILESN#Cc1cccc2ccc(Cl)cc12
InChIInChI=1S/C11H6ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H
InChIKeyPSUSJPAEWLGIKT-UHFFFAOYSA-N
MW187.63 g/mol
LogP3.36
Rot. Bonds

About 7-chloronaphthalene-1-carbonitrile

7-chloronaphthalene-1-carbonitrile (PubChem CID 118988893) has the molecular formula C11H6ClN and a molecular weight of 187.63 g/mol. Its IUPAC name is 7-chloronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-chloronaphthalene-1-carbonitrile
PubChem CID118988893
Molecular FormulaC11H6ClN
Molecular Weight187.63 g/mol
Exact Mass187.02
IUPAC Name7-chloronaphthalene-1-carbonitrile
SMILESN#Cc1cccc2ccc(Cl)cc12
InChIInChI=1S/C11H6ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H
InChIKeyPSUSJPAEWLGIKT-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloronaphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloronaphthalene-1-carbonitrile?
The IUPAC name of 7-chloronaphthalene-1-carbonitrile (CID 118988893) is 7-chloronaphthalene-1-carbonitrile.
What is the SMILES notation for 7-chloronaphthalene-1-carbonitrile?
The canonical SMILES for 7-chloronaphthalene-1-carbonitrile is N#Cc1cccc2ccc(Cl)cc12.
What is the InChIKey of 7-chloronaphthalene-1-carbonitrile?
The InChIKey is PSUSJPAEWLGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H.
What are the key properties of 7-chloronaphthalene-1-carbonitrile?
7-chloronaphthalene-1-carbonitrile has a molecular weight of 187.63 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloronaphthalene-1-carbonitrile is sourced from PubChem (CID 118988893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).