6-cyanonaphthalene-1-carbonyl chloride

C12H6ClNO — CID 22622253

IUPAC6-cyanonaphthalene-1-carbonyl chloride
SMILESN#Cc1ccc2c(C(=O)Cl)cccc2c1
InChIInChI=1S/C12H6ClNO/c13-12(15)11-3-1-2-9-6-8(7-14)4-5-10(9)11/h1-6H
InChIKeyDHFKHMCVXADNGA-UHFFFAOYSA-N
MW215.64 g/mol
LogP3.09
Rot. Bonds1

About 6-cyanonaphthalene-1-carbonyl chloride

6-cyanonaphthalene-1-carbonyl chloride (PubChem CID 22622253) has the molecular formula C12H6ClNO and a molecular weight of 215.64 g/mol. Its IUPAC name is 6-cyanonaphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name6-cyanonaphthalene-1-carbonyl chloride
PubChem CID22622253
Molecular FormulaC12H6ClNO
Molecular Weight215.64 g/mol
Exact Mass215.01
IUPAC Name6-cyanonaphthalene-1-carbonyl chloride
SMILESN#Cc1ccc2c(C(=O)Cl)cccc2c1
InChIInChI=1S/C12H6ClNO/c13-12(15)11-3-1-2-9-6-8(7-14)4-5-10(9)11/h1-6H
InChIKeyDHFKHMCVXADNGA-UHFFFAOYSA-N
XLogP3.09
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-cyanonaphthalene-1-carbonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

6-cyanonaphthalene-1-carboxylic acid
CID 22622245
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
6-cyanonaphthalene-1-sulfonate
CID 58462885
CID 57464318
CID 57464318
5-methoxynaphthalene-2-carbonitrile
CID 22243517
8-prop-1-en-2-ylnaphthalene-2-carbonitrile
CID 22627618
anthracene-1,4-dicarbonyl chloride
CID 21424527
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
6-chloronaphthalene-1-carboxylic acid
CID 13288328
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile
CID 118005885
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954

Frequently Asked Questions

What is the IUPAC name of 6-cyanonaphthalene-1-carbonyl chloride?
The IUPAC name of 6-cyanonaphthalene-1-carbonyl chloride (CID 22622253) is 6-cyanonaphthalene-1-carbonyl chloride.
What is the SMILES notation for 6-cyanonaphthalene-1-carbonyl chloride?
The canonical SMILES for 6-cyanonaphthalene-1-carbonyl chloride is N#Cc1ccc2c(C(=O)Cl)cccc2c1.
What is the InChIKey of 6-cyanonaphthalene-1-carbonyl chloride?
The InChIKey is DHFKHMCVXADNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO/c13-12(15)11-3-1-2-9-6-8(7-14)4-5-10(9)11/h1-6H.
What are the key properties of 6-cyanonaphthalene-1-carbonyl chloride?
6-cyanonaphthalene-1-carbonyl chloride has a molecular weight of 215.64 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanonaphthalene-1-carbonyl chloride is sourced from PubChem (CID 22622253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).