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

C8H6ClF2NO2 — CID 130074368

IUPAC6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Cl)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c1-3-6(8(13)14)4(7(10)11)2-5(9)12-3/h2,7H,1H3,(H,13,14)
InChIKeyVSZMEUKDYGAVTQ-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.68
Rot. Bonds2

About 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid

6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 130074368) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
PubChem CID130074368
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(Cl)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H6ClF2NO2/c1-3-6(8(13)14)4(7(10)11)2-5(9)12-3/h2,7H,1H3,(H,13,14)
InChIKeyVSZMEUKDYGAVTQ-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
CID 118996276
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
2-(difluoromethyl)-4,6-dimethylbenzoic acid
CID 131256404
2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119013712
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
ethyl 6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylate
CID 134684758
4-bromo-2-(difluoromethyl)-6-methylbenzoic acid
CID 131347017
2-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118825861
4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid (CID 130074368) is 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid is Cc1nc(Cl)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is VSZMEUKDYGAVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-3-6(8(13)14)4(7(10)11)2-5(9)12-3/h2,7H,1H3,(H,13,14).
What are the key properties of 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid?
6-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 6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 130074368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).