2-amino-4,6-dichlorophenol

C6H5Cl2NO — CID 10699

IUPAC2-amino-4,6-dichlorophenol
SMILESNc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKeyWASQBNCGNUTVNI-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.28
Rot. Bonds

About 2-amino-4,6-dichlorophenol

2-amino-4,6-dichlorophenol (PubChem CID 10699) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 2-amino-4,6-dichlorophenol.

Molecular Properties

Compound Name2-amino-4,6-dichlorophenol
PubChem CID10699
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name2-amino-4,6-dichlorophenol
SMILESNc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKeyWASQBNCGNUTVNI-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichlorophenol?
The IUPAC name of 2-amino-4,6-dichlorophenol (CID 10699) is 2-amino-4,6-dichlorophenol.
What is the SMILES notation for 2-amino-4,6-dichlorophenol?
The canonical SMILES for 2-amino-4,6-dichlorophenol is Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-amino-4,6-dichlorophenol?
The InChIKey is WASQBNCGNUTVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2.
What are the key properties of 2-amino-4,6-dichlorophenol?
2-amino-4,6-dichlorophenol has a molecular weight of 178.02 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichlorophenol is sourced from PubChem (CID 10699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).