3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid

C7H3ClF3NO2 — CID 130072000

IUPAC3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(F)cc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-2-1-3(9)5(6(10)11)12-4(2)7(13)14/h1,6H,(H,13,14)
InChIKeyMSZPDOMLDSWWRT-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.51
Rot. Bonds2

About 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid

3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 130072000) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID130072000
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(F)cc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-2-1-3(9)5(6(10)11)12-4(2)7(13)14/h1,6H,(H,13,14)
InChIKeyMSZPDOMLDSWWRT-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
CID 119016340
5-chloro-2-(difluoromethyl)-3-fluoro-6-methylpyridine
CID 130071645
3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
3-chloro-2-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 130071793
5-chloro-2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 134685820
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid (CID 130072000) is 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(F)cc1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is MSZPDOMLDSWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-2-1-3(9)5(6(10)11)12-4(2)7(13)14/h1,6H,(H,13,14).
What are the key properties of 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid?
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 225.55 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130072000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).