2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid

C8H4F3N3O2 — CID 122155568

IUPAC2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)c1cncc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7/h1-2H,(H,13,14)(H,15,16)
InChIKeyBOFTXGHXEDVCKC-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.67
Rot. Bonds1

About 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid

2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 122155568) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID122155568
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)c1cncc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7/h1-2H,(H,13,14)(H,15,16)
InChIKeyBOFTXGHXEDVCKC-UHFFFAOYSA-N
XLogP1.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 122155568) is 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid is O=C(O)c1cncc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is BOFTXGHXEDVCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-2-12-1-3(6(15)16)5(4)14-7/h1-2H,(H,13,14)(H,15,16).
What are the key properties of 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid?
2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 231.13 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 122155568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).