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

C8H3F3N2O2 — CID 57347102

IUPAC6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)6-5(7(14)15)2-1-4(3-12)13-6/h1-2H,(H,14,15)
InChIKeyMFALOKVJQIUJKP-UHFFFAOYSA-N
MW216.12 g/mol
LogP1.67
Rot. Bonds1

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

6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 57347102) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID57347102
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1ccc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C8H3F3N2O2/c9-8(10,11)6-5(7(14)15)2-1-4(3-12)13-6/h1-2H,(H,14,15)
InChIKeyMFALOKVJQIUJKP-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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Related Compounds

2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
2,6-Dimethylpyridine-3,5-dicarboxylic acid
CID 296010
6-(Trifluoromethyl)nicotinic acid
CID 2777551
2-Methyl-6-(trifluoromethyl)nicotinic acid
CID 2775683
2-Cyanopyridine-3-carboxylic acid
CID 12535315
6-(4-Ethylphenyl)-2-methylnicotinic acid
CID 822964
2-Methyl-6-p-tolylpyridine-3-carboxylic acid
CID 7285295
6-Cyanopyridine-3-carboxylic acid
CID 2761108
2,6-Dimethylnicotinic acid
CID 11715203
6-Methyl-4-(trifluoromethyl)nicotinic acid
CID 2726964
6-(Heptafluoropropyl)pyridine-3-carboxylic acid
CID 124249091
2-Chloro-6-(trifluoromethyl)nicotinic acid
CID 2778210

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 57347102) is 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid is N#Cc1ccc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is MFALOKVJQIUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-8(10,11)6-5(7(14)15)2-1-4(3-12)13-6/h1-2H,(H,14,15).
What are the key properties of 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid?
6-cyano-2-(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 6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 57347102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).