2,4-dichloro-5-methylpyridine-3-carboxylic acid

C7H5Cl2NO2 — CID 174770663

IUPAC2,4-dichloro-5-methylpyridine-3-carboxylic acid
SMILESCc1cnc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-10-6(9)4(5(3)8)7(11)12/h2H,1H3,(H,11,12)
InChIKeyPMWQESAOXWTFRO-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.40
Rot. Bonds1

About 2,4-dichloro-5-methylpyridine-3-carboxylic acid

2,4-dichloro-5-methylpyridine-3-carboxylic acid (PubChem CID 174770663) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is 2,4-dichloro-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dichloro-5-methylpyridine-3-carboxylic acid
PubChem CID174770663
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name2,4-dichloro-5-methylpyridine-3-carboxylic acid
SMILESCc1cnc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-10-6(9)4(5(3)8)7(11)12/h2H,1H3,(H,11,12)
InChIKeyPMWQESAOXWTFRO-UHFFFAOYSA-N
XLogP2.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-methylpyridine-3-carboxylic 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 2,4-dichloro-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 2,4-dichloro-5-methylpyridine-3-carboxylic acid (CID 174770663) is 2,4-dichloro-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dichloro-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dichloro-5-methylpyridine-3-carboxylic acid is Cc1cnc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,4-dichloro-5-methylpyridine-3-carboxylic acid?
The InChIKey is PMWQESAOXWTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c1-3-2-10-6(9)4(5(3)8)7(11)12/h2H,1H3,(H,11,12).
What are the key properties of 2,4-dichloro-5-methylpyridine-3-carboxylic acid?
2,4-dichloro-5-methylpyridine-3-carboxylic acid has a molecular weight of 206.03 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 174770663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).