2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C19H8ClF7N4 — CID 11634000

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H8ClF7N4/c20-12-4-9(18(22,23)24)6-28-15(12)8-1-2-11(13(21)3-8)16-30-14-5-10(19(25,26)27)7-29-17(14)31-16/h1-7H,(H,29,30,31)
InChIKeyZMIMGROVJDAOAM-UHFFFAOYSA-N
MW460.74 g/mol
LogP6.52
Rot. Bonds2

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 11634000) has the molecular formula C19H8ClF7N4 and a molecular weight of 460.74 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID11634000
Molecular FormulaC19H8ClF7N4
Molecular Weight460.74 g/mol
Exact Mass460.03
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H8ClF7N4/c20-12-4-9(18(22,23)24)6-28-15(12)8-1-2-11(13(21)3-8)16-30-14-5-10(19(25,26)27)7-29-17(14)31-16/h1-7H,(H,29,30,31)
InChIKeyZMIMGROVJDAOAM-UHFFFAOYSA-N
XLogP6.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine 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-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 11634000) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is Fc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZMIMGROVJDAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8ClF7N4/c20-12-4-9(18(22,23)24)6-28-15(12)8-1-2-11(13(21)3-8)16-30-14-5-10(19(25,26)27)7-29-17(14)31-16/h1-7H,(H,29,30,31).
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 460.74 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11634000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).