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

C15H10F3N3O2 — CID 15617191

IUPAC2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-1-3-9(7-10)13-20-11-5-2-6-19-14(11)21(13)8-12(22)23/h1-7H,8H2,(H,22,23)
InChIKeyRZCXPUUCLKSTQV-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.20
Rot. Bonds3

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

2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid (PubChem CID 15617191) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
PubChem CID15617191
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-1-3-9(7-10)13-20-11-5-2-6-19-14(11)21(13)8-12(22)23/h1-7H,8H2,(H,22,23)
InChIKeyRZCXPUUCLKSTQV-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid (CID 15617191) is 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid is O=C(O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
The InChIKey is RZCXPUUCLKSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)10-4-1-3-9(7-10)13-20-11-5-2-6-19-14(11)21(13)8-12(22)23/h1-7H,8H2,(H,22,23).
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid?
2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic 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 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 15617191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).