6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine

C14H10Br2ClN3O — CID 79278638

IUPAC6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Br)c(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H10Br2ClN3O/c1-21-9-2-3-10(16)12(5-9)20-13(6-17)19-11-4-8(15)7-18-14(11)20/h2-5,7H,6H2,1H3
InChIKeyZPJRUUHTBGQJDR-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.69
Rot. Bonds3

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

6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 79278638) has the molecular formula C14H10Br2ClN3O and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID79278638
Molecular FormulaC14H10Br2ClN3O
Molecular Weight431.52 g/mol
Exact Mass428.89
IUPAC Name6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Br)c(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H10Br2ClN3O/c1-21-9-2-3-10(16)12(5-9)20-13(6-17)19-11-4-8(15)7-18-14(11)20/h2-5,7H,6H2,1H3
InChIKeyZPJRUUHTBGQJDR-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.69
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-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 79278638) is 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is COc1ccc(Br)c(-n2c(CCl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZPJRUUHTBGQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN3O/c1-21-9-2-3-10(16)12(5-9)20-13(6-17)19-11-4-8(15)7-18-14(11)20/h2-5,7H,6H2,1H3.
What are the key properties of 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 431.52 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).