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

C14H12BrClN4 — CID 79302307

IUPAC6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnc1
InChIInChI=1S/C14H12BrClN4/c1-9(16)13-19-12-5-11(15)7-18-14(12)20(13)8-10-3-2-4-17-6-10/h2-7,9H,8H2,1H3
InChIKeyOWJVJOSEOMEAHC-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.94
Rot. Bonds3

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

6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79302307) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID79302307
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnc1
InChIInChI=1S/C14H12BrClN4/c1-9(16)13-19-12-5-11(15)7-18-14(12)20(13)8-10-3-2-4-17-6-10/h2-7,9H,8H2,1H3
InChIKeyOWJVJOSEOMEAHC-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 79302307) is 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1Cc1cccnc1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OWJVJOSEOMEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c1-9(16)13-19-12-5-11(15)7-18-14(12)20(13)8-10-3-2-4-17-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 351.64 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).