5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid

C8H6ClF2NO2 — CID 130074385

IUPAC5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(Cl)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14)
InChIKeyWSSOPUVAJQMCDJ-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.68
Rot. Bonds2

About 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid

5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 130074385) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
PubChem CID130074385
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1ncc(Cl)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14)
InChIKeyWSSOPUVAJQMCDJ-UHFFFAOYSA-N
XLogP2.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
2-(bromomethyl)-5-chloro-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118849606
3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
CID 130083946
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
methyl 5-chloro-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 130073412
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid (CID 130074385) is 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid is Cc1ncc(Cl)c(C(F)F)c1C(=O)O.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is WSSOPUVAJQMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-5(8(13)14)6(7(10)11)4(9)2-12-3/h2,7H,1H3,(H,13,14).
What are the key properties of 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 221.59 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 130074385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).