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

C13H6Br2ClF2N3 — CID 107614160

IUPAC6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1cc(-n2c(CCl)nc3cc(Br)cnc32)c(F)cc1Br
InChIInChI=1S/C13H6Br2ClF2N3/c14-6-1-10-13(19-5-6)21(12(4-16)20-10)11-3-8(17)7(15)2-9(11)18/h1-3,5H,4H2
InChIKeyTZNXKJNIXDRVCH-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.96
Rot. Bonds2

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

6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 107614160) has the molecular formula C13H6Br2ClF2N3 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID107614160
Molecular FormulaC13H6Br2ClF2N3
Molecular Weight437.47 g/mol
Exact Mass434.86
IUPAC Name6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1cc(-n2c(CCl)nc3cc(Br)cnc32)c(F)cc1Br
InChIInChI=1S/C13H6Br2ClF2N3/c14-6-1-10-13(19-5-6)21(12(4-16)20-10)11-3-8(17)7(15)2-9(11)18/h1-3,5H,4H2
InChIKeyTZNXKJNIXDRVCH-UHFFFAOYSA-N
XLogP4.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79306062
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300930
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 107614160) is 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is Fc1cc(-n2c(CCl)nc3cc(Br)cnc32)c(F)cc1Br.
What is the InChIKey of 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is TZNXKJNIXDRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClF2N3/c14-6-1-10-13(19-5-6)21(12(4-16)20-10)11-3-8(17)7(15)2-9(11)18/h1-3,5H,4H2.
What are the key properties of 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 437.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).