5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C9H3F5N2O2 — CID 133106197

IUPAC5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H3F5N2O2/c10-7(11)5-4(8(17)18)1-3(2-15)6(16-5)9(12,13)14/h1,7H,(H,17,18)
InChIKeyJEQMYUKOUKGRGD-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.61
Rot. Bonds2

About 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 133106197) has the molecular formula C9H3F5N2O2 and a molecular weight of 266.12 g/mol. Its IUPAC name is 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID133106197
Molecular FormulaC9H3F5N2O2
Molecular Weight266.12 g/mol
Exact Mass266.01
IUPAC Name5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(C(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H3F5N2O2/c10-7(11)5-4(8(17)18)1-3(2-15)6(16-5)9(12,13)14/h1,7H,(H,17,18)
InChIKeyJEQMYUKOUKGRGD-UHFFFAOYSA-N
XLogP2.61
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133107036
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
5-cyano-2,6-bis(trifluoromethyl)pyridine-3-carbonyl chloride
CID 174943784
5-cyano-2-(difluoromethyl)-6-[(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]pyridine-3-carboxylic acid
CID 138482359
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130076877
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
2-(chloromethyl)-5-cyano-4-(difluoromethyl)benzoic acid
CID 131378683

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 133106197) is 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is N#Cc1cc(C(=O)O)c(C(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is JEQMYUKOUKGRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O2/c10-7(11)5-4(8(17)18)1-3(2-15)6(16-5)9(12,13)14/h1,7H,(H,17,18).
What are the key properties of 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 266.12 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133106197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).