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

C13H11BrClN5 — CID 106897039

IUPAC6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnn1
InChIInChI=1S/C13H11BrClN5/c1-8(15)12-18-11-5-9(14)6-16-13(11)20(12)7-10-3-2-4-17-19-10/h2-6,8H,7H2,1H3
InChIKeyOKCDWSFOYCSQDA-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.33
Rot. Bonds3

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

6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 106897039) has the molecular formula C13H11BrClN5 and a molecular weight of 352.62 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID106897039
Molecular FormulaC13H11BrClN5
Molecular Weight352.62 g/mol
Exact Mass350.99
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnn1
InChIInChI=1S/C13H11BrClN5/c1-8(15)12-18-11-5-9(14)6-16-13(11)20(12)7-10-3-2-4-17-19-10/h2-6,8H,7H2,1H3
InChIKeyOKCDWSFOYCSQDA-UHFFFAOYSA-N
XLogP3.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
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-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
2-(1-chloroethyl)-5-methyl-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896957
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281
6-bromo-2-(1-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 115990996
6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489893
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294675
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 106897039) is 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnn1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OKCDWSFOYCSQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN5/c1-8(15)12-18-11-5-9(14)6-16-13(11)20(12)7-10-3-2-4-17-19-10/h2-6,8H,7H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 352.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 106897039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).