2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C8H4F3N3O2 — CID 82821798

IUPAC2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-1-3(6(15)16)2-12-5(4)14-7/h1-2H,(H,15,16)(H,12,13,14)
InChIKeyFNZMKAAIAKJKTQ-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.67
Rot. Bonds1

About 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821798) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821798
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-1-3(6(15)16)2-12-5(4)14-7/h1-2H,(H,15,16)(H,12,13,14)
InChIKeyFNZMKAAIAKJKTQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821798) is 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is FNZMKAAIAKJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)7-13-4-1-3(6(15)16)2-12-5(4)14-7/h1-2H,(H,15,16)(H,12,13,14).
What are the key properties of 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-6-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)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).