4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid

C15H10F3N3O2 — CID 50742731

IUPAC4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-11-2-1-7-19-12(11)21(14)8-9-3-5-10(6-4-9)13(22)23/h1-7H,8H2,(H,22,23)
InChIKeyHVKTXTXDUVLYRS-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.20
Rot. Bonds3

About 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid

4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid (PubChem CID 50742731) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
PubChem CID50742731
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-11-2-1-7-19-12(11)21(14)8-9-3-5-10(6-4-9)13(22)23/h1-7H,8H2,(H,22,23)
InChIKeyHVKTXTXDUVLYRS-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71648739
4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780
2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
CID 134170281
2-(2-chlorophenyl)-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]acetamide
CID 53021802
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
2-bromo-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53004120
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid (CID 50742731) is 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2c(C(F)(F)F)nc3cccnc32)cc1.
What is the InChIKey of 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid?
The InChIKey is HVKTXTXDUVLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)14-20-11-2-1-7-19-12(11)21(14)8-9-3-5-10(6-4-9)13(22)23/h1-7H,8H2,(H,22,23).
What are the key properties of 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid?
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid has a molecular weight of 321.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid is sourced from PubChem (CID 50742731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).