3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid

C8H3ClF2N2O2 — CID 130071333

IUPAC3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESN#Cc1c(C(F)F)cnc(C(=O)O)c1Cl
InChIInChI=1S/C8H3ClF2N2O2/c9-5-3(1-12)4(7(10)11)2-13-6(5)8(14)15/h2,7H,(H,14,15)
InChIKeyJWRDOVZRYYQQHB-UHFFFAOYSA-N
MW232.57 g/mol
LogP2.24
Rot. Bonds2

About 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid

3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130071333) has the molecular formula C8H3ClF2N2O2 and a molecular weight of 232.57 g/mol. Its IUPAC name is 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130071333
Molecular FormulaC8H3ClF2N2O2
Molecular Weight232.57 g/mol
Exact Mass231.99
IUPAC Name3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESN#Cc1c(C(F)F)cnc(C(=O)O)c1Cl
InChIInChI=1S/C8H3ClF2N2O2/c9-5-3(1-12)4(7(10)11)2-13-6(5)8(14)15/h2,7H,(H,14,15)
InChIKeyJWRDOVZRYYQQHB-UHFFFAOYSA-N
XLogP2.24
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.57
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
3-chloro-4-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071335
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid (CID 130071333) is 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid is N#Cc1c(C(F)F)cnc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is JWRDOVZRYYQQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2O2/c9-5-3(1-12)4(7(10)11)2-13-6(5)8(14)15/h2,7H,(H,14,15).
What are the key properties of 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid?
3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 232.57 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130071333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).