2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C12H10F3N3O2 — CID 79877706

IUPAC2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCc1nccn1-c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-2-9-16-5-6-18(9)10-7(11(19)20)3-4-8(17-10)12(13,14)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyNYTJHFMWEULQGB-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79877706) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79877706
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCc1nccn1-c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H10F3N3O2/c1-2-9-16-5-6-18(9)10-7(11(19)20)3-4-8(17-10)12(13,14)15/h3-6H,2H2,1H3,(H,19,20)
InChIKeyNYTJHFMWEULQGB-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79877706) is 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CCc1nccn1-c1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is NYTJHFMWEULQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-2-9-16-5-6-18(9)10-7(11(19)20)3-4-8(17-10)12(13,14)15/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79877706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).