6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine

C14H13BrClN3O — CID 79302460

IUPAC6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(c1ccco1)n1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H13BrClN3O/c1-9(12-3-2-6-20-12)19-13(4-5-16)18-11-7-10(15)8-17-14(11)19/h2-3,6-9H,4-5H2,1H3
InChIKeyTTYHDGKPPQXSDJ-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.18
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79302460) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79302460
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(c1ccco1)n1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H13BrClN3O/c1-9(12-3-2-6-20-12)19-13(4-5-16)18-11-7-10(15)8-17-14(11)19/h2-3,6-9H,4-5H2,1H3
InChIKeyTTYHDGKPPQXSDJ-UHFFFAOYSA-N
XLogP4.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79280071
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
6-bromo-2-(chloromethyl)-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine
CID 79280249
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
6-bromo-2-(2-chloroethyl)-3-(1-imidazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278608
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
CID 81136454
6-bromo-2-(2-chloroethyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79363129
6-bromo-2-(chloromethyl)-3-(1-phenylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79278809

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine (CID 79302460) is 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine is CC(c1ccco1)n1c(CCCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is TTYHDGKPPQXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-9(12-3-2-6-20-12)19-13(4-5-16)18-11-7-10(15)8-17-14(11)19/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 354.64 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).