3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid

C8H6F3NO2 — CID 90460143

IUPAC3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-4-5(7(13)14)2-3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyZAFGLEYRZVWYLH-UHFFFAOYSA-N
MW205.13 g/mol
LogP2.11
Rot. Bonds1

About 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid

3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 90460143) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID90460143
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)ccnc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-4-5(7(13)14)2-3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKeyZAFGLEYRZVWYLH-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid (CID 90460143) is 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid is Cc1c(C(=O)O)ccnc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is ZAFGLEYRZVWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-4-5(7(13)14)2-3-12-6(4)8(9,10)11/h2-3H,1H3,(H,13,14).
What are the key properties of 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid?
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 205.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90460143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).