4-amino-6-chlorocyclohexa-1,3-dien-1-ol

C6H8ClNO — CID 89017882

IUPAC4-amino-6-chlorocyclohexa-1,3-dien-1-ol
SMILESNC1=CC=C(O)C(Cl)C1
InChIInChI=1S/C6H8ClNO/c7-5-3-4(8)1-2-6(5)9/h1-2,5,9H,3,8H2
InChIKeyIXCDFZBRQJMARF-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.28
Rot. Bonds

About 4-amino-6-chlorocyclohexa-1,3-dien-1-ol

4-amino-6-chlorocyclohexa-1,3-dien-1-ol (PubChem CID 89017882) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 4-amino-6-chlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-amino-6-chlorocyclohexa-1,3-dien-1-ol
PubChem CID89017882
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name4-amino-6-chlorocyclohexa-1,3-dien-1-ol
SMILESNC1=CC=C(O)C(Cl)C1
InChIInChI=1S/C6H8ClNO/c7-5-3-4(8)1-2-6(5)9/h1-2,5,9H,3,8H2
InChIKeyIXCDFZBRQJMARF-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-6-chlorocyclohexa-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 4-amino-6-chlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-amino-6-chlorocyclohexa-1,3-dien-1-ol (CID 89017882) is 4-amino-6-chlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-amino-6-chlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-amino-6-chlorocyclohexa-1,3-dien-1-ol is NC1=CC=C(O)C(Cl)C1.
What is the InChIKey of 4-amino-6-chlorocyclohexa-1,3-dien-1-ol?
The InChIKey is IXCDFZBRQJMARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c7-5-3-4(8)1-2-6(5)9/h1-2,5,9H,3,8H2.
What are the key properties of 4-amino-6-chlorocyclohexa-1,3-dien-1-ol?
4-amino-6-chlorocyclohexa-1,3-dien-1-ol has a molecular weight of 145.59 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89017882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).