3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H3ClF3NO3 — CID 130089873

IUPAC3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H3ClF3NO3/c8-4-3(15-7(9,10)11)1-2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKeyQYIWFAHJXQCYNK-UHFFFAOYSA-N
MW241.55 g/mol
LogP2.33
Rot. Bonds2

About 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid

3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 130089873) has the molecular formula C7H3ClF3NO3 and a molecular weight of 241.55 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID130089873
Molecular FormulaC7H3ClF3NO3
Molecular Weight241.55 g/mol
Exact Mass240.98
IUPAC Name3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H3ClF3NO3/c8-4-3(15-7(9,10)11)1-2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKeyQYIWFAHJXQCYNK-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 130092242
2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 171029091
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
CID 130089712
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
2-chloro-3-(1,3-oxazol-2-yl)-4-(trifluoromethoxy)benzoic acid
CID 177043637
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134658890
3-hydroxy-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 19960297
(3-chloropyrazin-2-yl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanone
CID 90039610
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
6-bromo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 130089873) is 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nccc(OC(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is QYIWFAHJXQCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO3/c8-4-3(15-7(9,10)11)1-2-12-5(4)6(13)14/h1-2H,(H,13,14).
What are the key properties of 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 241.55 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 130089873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).