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

C9H3F5N2O2 — CID 133107036

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

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

5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 133107036) has the molecular formula C9H3F5N2O2 and a molecular weight of 266.12 g/mol. Its IUPAC name is 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID133107036
Molecular FormulaC9H3F5N2O2
Molecular Weight266.12 g/mol
Exact Mass266.01
IUPAC Name5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESN#Cc1cc(C(F)(F)F)c(C(=O)O)nc1C(F)F
InChIInChI=1S/C9H3F5N2O2/c10-7(11)5-3(2-15)1-4(9(12,13)14)6(16-5)8(17)18/h1,7H,(H,17,18)
InChIKeyCMVAOJQIMFQTGU-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-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119017989
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
2-[2-cyano-5-(difluoromethyl)-4-(trifluoromethyl)phenyl]acetic acid
CID 119020913
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
ethyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106239
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 133107036) is 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is N#Cc1cc(C(F)(F)F)c(C(=O)O)nc1C(F)F.
What is the InChIKey of 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is CMVAOJQIMFQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O2/c10-7(11)5-3(2-15)1-4(9(12,13)14)6(16-5)8(17)18/h1,7H,(H,17,18).
What are the key properties of 5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid?
5-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-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-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133107036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).