[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite

C8H4Cl2N2O — CID 141112966

IUPAC[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite
SMILESN#Cc1ccc(C=NOCl)c(Cl)c1
InChIInChI=1S/C8H4Cl2N2O/c9-8-3-6(4-11)1-2-7(8)5-12-13-10/h1-3,5H
InChIKeyZNRGQSMICLDEII-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.72
Rot. Bonds2

About [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite

[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite (PubChem CID 141112966) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite.

Molecular Properties

Compound Name[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite
PubChem CID141112966
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite
SMILESN#Cc1ccc(C=NOCl)c(Cl)c1
InChIInChI=1S/C8H4Cl2N2O/c9-8-3-6(4-11)1-2-7(8)5-12-13-10/h1-3,5H
InChIKeyZNRGQSMICLDEII-UHFFFAOYSA-N
XLogP2.72
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite 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

[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
CID 89267275
3-chloro-4-methanimidoylbenzonitrile
CID 144680291
4-(3-aminoprop-1-enyl)-3-chlorobenzonitrile
CID 169463560
4-chloro-3-(hydroxyiminomethyl)benzonitrile;hydrochloride
CID 174516125
[(3-chloro-4-pyridinyl)methylideneamino] hypochlorite
CID 87705241
tert-butyl N-[3-(2-chloro-4-cyanophenyl)prop-2-enyl]carbamate
CID 169467497
3-chloro-4-(2-cyanoethyl)benzonitrile
CID 131029307
S-[3-(2-chloro-4-cyanophenyl)prop-2-enyl] ethanethioate
CID 169457203
4-[(E)-hydroxyiminomethyl]-3-methoxybenzonitrile
CID 16659220
4-chloro-3-iodobenzonitrile
CID 16659396
3-(3-azidoprop-1-enyl)-4-chlorobenzonitrile
CID 169461741
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite?
The IUPAC name of [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite (CID 141112966) is [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite.
What is the SMILES notation for [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite?
The canonical SMILES for [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite is N#Cc1ccc(C=NOCl)c(Cl)c1.
What is the InChIKey of [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite?
The InChIKey is ZNRGQSMICLDEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-8-3-6(4-11)1-2-7(8)5-12-13-10/h1-3,5H.
What are the key properties of [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite?
[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite has a molecular weight of 215.04 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite is sourced from PubChem (CID 141112966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).