2-(2-amino-5-fluoroanilino)-4-chlorophenol

C12H10ClFN2O — CID 19771090

IUPAC2-(2-amino-5-fluoroanilino)-4-chlorophenol
SMILESNc1ccc(F)cc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClFN2O/c13-7-1-4-12(17)11(5-7)16-10-6-8(14)2-3-9(10)15/h1-6,16-17H,15H2
InChIKeyMDHQXFMRKQPCCO-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.51
Rot. Bonds2

About 2-(2-amino-5-fluoroanilino)-4-chlorophenol

2-(2-amino-5-fluoroanilino)-4-chlorophenol (PubChem CID 19771090) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-(2-amino-5-fluoroanilino)-4-chlorophenol.

Molecular Properties

Compound Name2-(2-amino-5-fluoroanilino)-4-chlorophenol
PubChem CID19771090
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-(2-amino-5-fluoroanilino)-4-chlorophenol
SMILESNc1ccc(F)cc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClFN2O/c13-7-1-4-12(17)11(5-7)16-10-6-8(14)2-3-9(10)15/h1-6,16-17H,15H2
InChIKeyMDHQXFMRKQPCCO-UHFFFAOYSA-N
XLogP3.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-fluoroanilino)-4-chlorophenol 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 2-(2-amino-5-fluoroanilino)-4-chlorophenol?
The IUPAC name of 2-(2-amino-5-fluoroanilino)-4-chlorophenol (CID 19771090) is 2-(2-amino-5-fluoroanilino)-4-chlorophenol.
What is the SMILES notation for 2-(2-amino-5-fluoroanilino)-4-chlorophenol?
The canonical SMILES for 2-(2-amino-5-fluoroanilino)-4-chlorophenol is Nc1ccc(F)cc1Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-(2-amino-5-fluoroanilino)-4-chlorophenol?
The InChIKey is MDHQXFMRKQPCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-7-1-4-12(17)11(5-7)16-10-6-8(14)2-3-9(10)15/h1-6,16-17H,15H2.
What are the key properties of 2-(2-amino-5-fluoroanilino)-4-chlorophenol?
2-(2-amino-5-fluoroanilino)-4-chlorophenol has a molecular weight of 252.68 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoroanilino)-4-chlorophenol is sourced from PubChem (CID 19771090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).