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

C9H6F3N3O2 — CID 82820568

IUPAC2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(CC(F)(F)F)[nH]c2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)2-6-14-5-1-4(8(16)17)3-13-7(5)15-6/h1,3H,2H2,(H,16,17)(H,13,14,15)
InChIKeyXRHFURQJHRCCGI-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.76
Rot. Bonds2

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

2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82820568) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82820568
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(CC(F)(F)F)[nH]c2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)2-6-14-5-1-4(8(16)17)3-13-7(5)15-6/h1,3H,2H2,(H,16,17)(H,13,14,15)
InChIKeyXRHFURQJHRCCGI-UHFFFAOYSA-N
XLogP1.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82820568) is 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(CC(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is XRHFURQJHRCCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)2-6-14-5-1-4(8(16)17)3-13-7(5)15-6/h1,3H,2H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82820568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).