6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine

C11H10BrClF3N3 — CID 113327887

IUPAC6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)CCCn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C11H10BrClF3N3/c12-7-4-8-10(17-6-7)19(9(5-13)18-8)3-1-2-11(14,15)16/h4,6H,1-3,5H2
InChIKeyKPPZUAQCGMUHNK-UHFFFAOYSA-N
MW356.57 g/mol
LogP4.28
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine

6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine (PubChem CID 113327887) has the molecular formula C11H10BrClF3N3 and a molecular weight of 356.57 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
PubChem CID113327887
Molecular FormulaC11H10BrClF3N3
Molecular Weight356.57 g/mol
Exact Mass354.97
IUPAC Name6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)CCCn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C11H10BrClF3N3/c12-7-4-8-10(17-6-7)19(9(5-13)18-8)3-1-2-11(14,15)16/h4,6H,1-3,5H2
InChIKeyKPPZUAQCGMUHNK-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine (CID 113327887) is 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine is FC(F)(F)CCCn1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine?
The InChIKey is KPPZUAQCGMUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3N3/c12-7-4-8-10(17-6-7)19(9(5-13)18-8)3-1-2-11(14,15)16/h4,6H,1-3,5H2.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine has a molecular weight of 356.57 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113327887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).