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'}

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Related Compounds

2,4-dichloro-5-hydroxypyridine-3-carboxylic acid
CID 141452317
2,4-dichloro-5-iodopyridine-3-carboxylic acid
CID 10615464
5-tert-butyl-2,4-dichloropyridine-3-carboxylic acid
CID 146494137
5-bromo-2-chloro-4-methylpyridine-3-carboxylic acid;nitrous acid
CID 175334729
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
2,5-dichloro-3-fluoropyridine-4-carboxylic acid
CID 11009178
methyl 3-amino-2-chloro-5-methylpyridine-4-carboxylate;hydrochloride
CID 130229255
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
gold(3+);1-(2,4,5-trichloro-3-pyridinyl)ethanone
CID 19854375
4,6-Dichloropyrimidine-5-carboxylic acid, sodium salt
CID 171921195
2,3,5,8-tetrachloronaphthalene-1,4,6,7-tetracarboxylic acid
CID 174715214

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).