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

C14H9Br2Cl2N3 — CID 81281193

IUPAC6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H9Br2Cl2N3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-17)12-6-9(18)1-2-10(12)16/h1-2,5-7H,3-4H2
InChIKeyKTPMDJQWFXNWRO-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.38
Rot. Bonds3

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

6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 81281193) has the molecular formula C14H9Br2Cl2N3 and a molecular weight of 449.96 g/mol. Its IUPAC name is 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID81281193
Molecular FormulaC14H9Br2Cl2N3
Molecular Weight449.96 g/mol
Exact Mass446.85
IUPAC Name6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H9Br2Cl2N3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-17)12-6-9(18)1-2-10(12)16/h1-2,5-7H,3-4H2
InChIKeyKTPMDJQWFXNWRO-UHFFFAOYSA-N
XLogP5.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.38
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-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 81281193) is 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cc(Br)cnc2n1-c1cc(Cl)ccc1Br.
What is the InChIKey of 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is KTPMDJQWFXNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2N3/c15-8-5-11-14(19-7-8)21(13(20-11)3-4-17)12-6-9(18)1-2-10(12)16/h1-2,5-7H,3-4H2.
What are the key properties of 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine has a molecular weight of 449.96 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81281193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).