6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine

C9H7BrF3N3O — CID 103208843

IUPAC6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C9H7BrF3N3O/c10-5-1-6-8(14-2-5)16-7(15-6)3-17-4-9(11,12)13/h1-2H,3-4H2,(H,14,15,16)
InChIKeyXSDHJQFTSOVXRI-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.80
Rot. Bonds3

About 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103208843) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID103208843
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)COCc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C9H7BrF3N3O/c10-5-1-6-8(14-2-5)16-7(15-6)3-17-4-9(11,12)13/h1-2H,3-4H2,(H,14,15,16)
InChIKeyXSDHJQFTSOVXRI-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-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

Related Compounds

6-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208878
5,6-dichloro-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103208916
6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
CID 23857021
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl N-methylcarbamate
CID 140638351
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl 3-methylbutanoate
CID 56805941
6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
CID 55260714
6-bromo-2-undecyl-1H-imidazo[4,5-b]pyridine
CID 65426544
2-(azetidin-3-ylmethyl)-6-bromo-1H-imidazo[4,5-b]pyridine
CID 64610224
6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine
CID 55188420
4,6-difluoro-2-(2,2,2-trifluoroethoxymethyl)-1H-benzimidazole
CID 103208892
6-bromo-2-(2-cyclohexylethyl)-1H-imidazo[4,5-b]pyridine
CID 56839810
1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66002551

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine (CID 103208843) is 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine is FC(F)(F)COCc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is XSDHJQFTSOVXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-5-1-6-8(14-2-5)16-7(15-6)3-17-4-9(11,12)13/h1-2H,3-4H2,(H,14,15,16).
What are the key properties of 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 310.07 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2,2-trifluoroethoxymethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103208843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).