6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol

C6H7Cl2NO — CID 172745165

IUPAC6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol
SMILESNC1(Cl)C(Cl)=CC=CC1O
InChIInChI=1S/C6H7Cl2NO/c7-4-2-1-3-5(10)6(4,8)9/h1-3,5,10H,9H2
InChIKeyJPVSJDOZPNIEIQ-UHFFFAOYSA-N
MW180.03 g/mol
LogP0.93
Rot. Bonds

About 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol

6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol (PubChem CID 172745165) has the molecular formula C6H7Cl2NO and a molecular weight of 180.03 g/mol. Its IUPAC name is 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol
PubChem CID172745165
Molecular FormulaC6H7Cl2NO
Molecular Weight180.03 g/mol
Exact Mass178.99
IUPAC Name6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol
SMILESNC1(Cl)C(Cl)=CC=CC1O
InChIInChI=1S/C6H7Cl2NO/c7-4-2-1-3-5(10)6(4,8)9/h1-3,5,10H,9H2
InChIKeyJPVSJDOZPNIEIQ-UHFFFAOYSA-N
XLogP0.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.03
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol (CID 172745165) is 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol is NC1(Cl)C(Cl)=CC=CC1O.
What is the InChIKey of 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol?
The InChIKey is JPVSJDOZPNIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NO/c7-4-2-1-3-5(10)6(4,8)9/h1-3,5,10H,9H2.
What are the key properties of 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol?
6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol has a molecular weight of 180.03 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,6-dichlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 172745165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).