4,6-dichloro-2-formamido-3-hydroxybenzoic acid

C8H5Cl2NO4 — CID 59726060

IUPAC4,6-dichloro-2-formamido-3-hydroxybenzoic acid
SMILESO=CNc1c(O)c(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C8H5Cl2NO4/c9-3-1-4(10)7(13)6(11-2-12)5(3)8(14)15/h1-2,13H,(H,11,12)(H,14,15)
InChIKeyULSQDQARBYQSTN-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.97
Rot. Bonds3

About 4,6-dichloro-2-formamido-3-hydroxybenzoic acid

4,6-dichloro-2-formamido-3-hydroxybenzoic acid (PubChem CID 59726060) has the molecular formula C8H5Cl2NO4 and a molecular weight of 250.04 g/mol. Its IUPAC name is 4,6-dichloro-2-formamido-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4,6-dichloro-2-formamido-3-hydroxybenzoic acid
PubChem CID59726060
Molecular FormulaC8H5Cl2NO4
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name4,6-dichloro-2-formamido-3-hydroxybenzoic acid
SMILESO=CNc1c(O)c(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C8H5Cl2NO4/c9-3-1-4(10)7(13)6(11-2-12)5(3)8(14)15/h1-2,13H,(H,11,12)(H,14,15)
InChIKeyULSQDQARBYQSTN-UHFFFAOYSA-N
XLogP1.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-formamido-3-hydroxybenzoic acid 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 4,6-dichloro-2-formamido-3-hydroxybenzoic acid?
The IUPAC name of 4,6-dichloro-2-formamido-3-hydroxybenzoic acid (CID 59726060) is 4,6-dichloro-2-formamido-3-hydroxybenzoic acid.
What is the SMILES notation for 4,6-dichloro-2-formamido-3-hydroxybenzoic acid?
The canonical SMILES for 4,6-dichloro-2-formamido-3-hydroxybenzoic acid is O=CNc1c(O)c(Cl)cc(Cl)c1C(=O)O.
What is the InChIKey of 4,6-dichloro-2-formamido-3-hydroxybenzoic acid?
The InChIKey is ULSQDQARBYQSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO4/c9-3-1-4(10)7(13)6(11-2-12)5(3)8(14)15/h1-2,13H,(H,11,12)(H,14,15).
What are the key properties of 4,6-dichloro-2-formamido-3-hydroxybenzoic acid?
4,6-dichloro-2-formamido-3-hydroxybenzoic acid has a molecular weight of 250.04 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-formamido-3-hydroxybenzoic acid is sourced from PubChem (CID 59726060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).