2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol

C14H8BrClF3N3O — CID 170743583

IUPAC2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol
SMILESCn1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(Cl)c(Br)cc21
InChIInChI=1S/C14H8BrClF3N3O/c1-22-9-5-8(15)11(16)20-12(9)21-13(22)7-3-2-6(4-10(7)23)14(17,18)19/h2-5,23H,1H3
InChIKeyQITOPQJXZQRNPR-UHFFFAOYSA-N
MW406.59 g/mol
LogP4.78
Rot. Bonds1

About 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol

2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol (PubChem CID 170743583) has the molecular formula C14H8BrClF3N3O and a molecular weight of 406.59 g/mol. Its IUPAC name is 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol
PubChem CID170743583
Molecular FormulaC14H8BrClF3N3O
Molecular Weight406.59 g/mol
Exact Mass404.95
IUPAC Name2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol
SMILESCn1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(Cl)c(Br)cc21
InChIInChI=1S/C14H8BrClF3N3O/c1-22-9-5-8(15)11(16)20-12(9)21-13(22)7-3-2-6(4-10(7)23)14(17,18)19/h2-5,23H,1H3
InChIKeyQITOPQJXZQRNPR-UHFFFAOYSA-N
XLogP4.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol 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-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol (CID 170743583) is 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol is Cn1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(Cl)c(Br)cc21.
What is the InChIKey of 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol?
The InChIKey is QITOPQJXZQRNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF3N3O/c1-22-9-5-8(15)11(16)20-12(9)21-13(22)7-3-2-6(4-10(7)23)14(17,18)19/h2-5,23H,1H3.
What are the key properties of 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol?
2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol has a molecular weight of 406.59 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-5-chloro-1-methylimidazo[4,5-b]pyridin-2-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 170743583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).