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

C15H14BrClN4 — CID 79280609

IUPAC6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1CCc1ccncc1
InChIInChI=1S/C15H14BrClN4/c1-10(17)14-20-13-8-12(16)9-19-15(13)21(14)7-4-11-2-5-18-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyFGFQBVZLQPKAKC-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.13
Rot. Bonds4

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

6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 79280609) has the molecular formula C15H14BrClN4 and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
PubChem CID79280609
Molecular FormulaC15H14BrClN4
Molecular Weight365.66 g/mol
Exact Mass364.01
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cc(Br)cnc2n1CCc1ccncc1
InChIInChI=1S/C15H14BrClN4/c1-10(17)14-20-13-8-12(16)9-19-15(13)21(14)7-4-11-2-5-18-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyFGFQBVZLQPKAKC-UHFFFAOYSA-N
XLogP4.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.13
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-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine (CID 79280609) is 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cc(Br)cnc2n1CCc1ccncc1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is FGFQBVZLQPKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4/c1-10(17)14-20-13-8-12(16)9-19-15(13)21(14)7-4-11-2-5-18-6-3-11/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 365.66 g/mol, XLogP of 4.13, 4 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-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79280609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).