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

C15H12BrClFN3 — CID 79277845

IUPAC6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H12BrClFN3/c1-9(17)14-20-13-6-11(16)7-19-15(13)21(14)8-10-3-2-4-12(18)5-10/h2-7,9H,8H2,1H3
InChIKeyUPDYFEJTBFMXCD-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.68
Rot. Bonds3

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

6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79277845) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID79277845
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H12BrClFN3/c1-9(17)14-20-13-6-11(16)7-19-15(13)21(14)8-10-3-2-4-12(18)5-10/h2-7,9H,8H2,1H3
InChIKeyUPDYFEJTBFMXCD-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.68
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-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 106897039
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
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-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278037
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
3-[(3-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79300822

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine (CID 79277845) is 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1Cc1cccc(F)c1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is UPDYFEJTBFMXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c1-9(17)14-20-13-6-11(16)7-19-15(13)21(14)8-10-3-2-4-12(18)5-10/h2-7,9H,8H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 368.64 g/mol, XLogP of 4.68, 3 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-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79277845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).