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

C8H6ClF2NO3 — CID 119002941

IUPAC2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1Cl
InChIInChI=1S/C8H6ClF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14)
InChIKeyUXTKPPIZAIEXJZ-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.38
Rot. Bonds3

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

2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (PubChem CID 119002941) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
PubChem CID119002941
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1Cl
InChIInChI=1S/C8H6ClF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14)
InChIKeyUXTKPPIZAIEXJZ-UHFFFAOYSA-N
XLogP2.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134674935
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
CID 119021689
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid (CID 119002941) is 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is COc1c(C(=O)O)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
The InChIKey is UXTKPPIZAIEXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-5-3(8(13)14)2-4(7(10)11)12-6(5)9/h2,7H,1H3,(H,13,14).
What are the key properties of 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid?
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid has a molecular weight of 237.59 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid is sourced from PubChem (CID 119002941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).