4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid

C8H3F3N2O2 — CID 118844918

IUPAC4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-4(2-12)5(3-13-6)7(14)15/h1,3H,(H,14,15)
InChIKeyPUBZHYFYZGRNNI-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.67
Rot. Bonds1

About 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid

4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118844918) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118844918
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1cc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-4(2-12)5(3-13-6)7(14)15/h1,3H,(H,14,15)
InChIKeyPUBZHYFYZGRNNI-UHFFFAOYSA-N
XLogP1.67
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118844918) is 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid is N#Cc1cc(C(F)(F)F)ncc1C(=O)O.
What is the InChIKey of 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PUBZHYFYZGRNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-4(2-12)5(3-13-6)7(14)15/h1,3H,(H,14,15).
What are the key properties of 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 216.12 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118844918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).