5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid

C7H4ClF2NO2 — CID 130095648

IUPAC5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-4(6(9)10)5(7(12)13)11-2-3/h1-2,6H,(H,12,13)
InChIKeyKRPYTHNMGBABRL-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.37
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid

5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130095648) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130095648
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-4(6(9)10)5(7(12)13)11-2-3/h1-2,6H,(H,12,13)
InChIKeyKRPYTHNMGBABRL-UHFFFAOYSA-N
XLogP2.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
3-butan-2-yl-5-chloropyridine-2-carboxylic acid
CID 66931655
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071333
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid (CID 130095648) is 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(Cl)cc1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is KRPYTHNMGBABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-3-1-4(6(9)10)5(7(12)13)11-2-3/h1-2,6H,(H,12,13).
What are the key properties of 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid?
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 207.56 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).