2-amino-5-chlorophenol

C12H12Cl2N2O2 — CID 162200798

IUPAC2-amino-5-chlorophenol
SMILESNc1ccc(Cl)cc1O.Nc1ccc(Cl)cc1O
InChIInChI=1S/2C6H6ClNO/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3,9H,8H2
InChIKeyZROBSJCVITWDFV-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.26
Rot. Bonds

About 2-amino-5-chlorophenol

2-amino-5-chlorophenol (PubChem CID 162200798) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-amino-5-chlorophenol.

Molecular Properties

Compound Name2-amino-5-chlorophenol
PubChem CID162200798
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-amino-5-chlorophenol
SMILESNc1ccc(Cl)cc1O.Nc1ccc(Cl)cc1O
InChIInChI=1S/2C6H6ClNO/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3,9H,8H2
InChIKeyZROBSJCVITWDFV-UHFFFAOYSA-N
XLogP3.26
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-5-chlorophenol?
The IUPAC name of 2-amino-5-chlorophenol (CID 162200798) is 2-amino-5-chlorophenol.
What is the SMILES notation for 2-amino-5-chlorophenol?
The canonical SMILES for 2-amino-5-chlorophenol is Nc1ccc(Cl)cc1O.Nc1ccc(Cl)cc1O.
What is the InChIKey of 2-amino-5-chlorophenol?
The InChIKey is ZROBSJCVITWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6ClNO/c2*7-4-1-2-5(8)6(9)3-4/h2*1-3,9H,8H2.
What are the key properties of 2-amino-5-chlorophenol?
2-amino-5-chlorophenol has a molecular weight of 287.15 g/mol, XLogP of 3.26, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chlorophenol is sourced from PubChem (CID 162200798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).