5-chloro-6-iminocyclohexa-1,3-dien-1-ol

C6H6ClNO — CID 141413427

IUPAC5-chloro-6-iminocyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1/C(O)=CC=CC1Cl
InChIInChI=1S/C6H6ClNO/c7-4-2-1-3-5(9)6(4)8/h1-4,8-9H/b8-6+
InChIKeyOXKCHPOGJOWBDB-SOFGYWHQSA-N
MW143.57 g/mol
LogP1.63
Rot. Bonds

About 5-chloro-6-iminocyclohexa-1,3-dien-1-ol

5-chloro-6-iminocyclohexa-1,3-dien-1-ol (PubChem CID 141413427) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 5-chloro-6-iminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-chloro-6-iminocyclohexa-1,3-dien-1-ol
PubChem CID141413427
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name5-chloro-6-iminocyclohexa-1,3-dien-1-ol
SMILES[H]/N=C1/C(O)=CC=CC1Cl
InChIInChI=1S/C6H6ClNO/c7-4-2-1-3-5(9)6(4)8/h1-4,8-9H/b8-6+
InChIKeyOXKCHPOGJOWBDB-SOFGYWHQSA-N
XLogP1.63
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-chloro-6-iminocyclohexa-1,3-dien-1-ol 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 5-chloro-6-iminocyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-chloro-6-iminocyclohexa-1,3-dien-1-ol (CID 141413427) is 5-chloro-6-iminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-chloro-6-iminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-chloro-6-iminocyclohexa-1,3-dien-1-ol is [H]/N=C1/C(O)=CC=CC1Cl.
What is the InChIKey of 5-chloro-6-iminocyclohexa-1,3-dien-1-ol?
The InChIKey is OXKCHPOGJOWBDB-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-4-2-1-3-5(9)6(4)8/h1-4,8-9H/b8-6+.
What are the key properties of 5-chloro-6-iminocyclohexa-1,3-dien-1-ol?
5-chloro-6-iminocyclohexa-1,3-dien-1-ol has a molecular weight of 143.57 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-iminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 141413427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).