6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine

C10H8BrClF3N3 — CID 79301882

IUPAC6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1CC(F)(F)F
InChIInChI=1S/C10H8BrClF3N3/c1-5(12)8-17-7-2-6(11)3-16-9(7)18(8)4-10(13,14)15/h2-3,5H,4H2,1H3
InChIKeyXBSIFODSTMIFQU-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.06
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine (PubChem CID 79301882) has the molecular formula C10H8BrClF3N3 and a molecular weight of 342.55 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
PubChem CID79301882
Molecular FormulaC10H8BrClF3N3
Molecular Weight342.55 g/mol
Exact Mass340.95
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1CC(F)(F)F
InChIInChI=1S/C10H8BrClF3N3/c1-5(12)8-17-7-2-6(11)3-16-9(7)18(8)4-10(13,14)15/h2-3,5H,4H2,1H3
InChIKeyXBSIFODSTMIFQU-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79277845
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 106897039
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 115990996
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine (CID 79301882) is 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1CC(F)(F)F.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine?
The InChIKey is XBSIFODSTMIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3N3/c1-5(12)8-17-7-2-6(11)3-16-9(7)18(8)4-10(13,14)15/h2-3,5H,4H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine has a molecular weight of 342.55 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).