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

C16H23BrClN3 — CID 102906922

IUPAC6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)C(Cn1c(CCCl)nc2cc(Br)cnc21)C(C)C
InChIInChI=1S/C16H23BrClN3/c1-10(2)13(11(3)4)9-21-15(5-6-18)20-14-7-12(17)8-19-16(14)21/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyWIRXLYMXGJORJX-UHFFFAOYSA-N
MW372.74 g/mol
LogP4.90
Rot. Bonds6

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

6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine (PubChem CID 102906922) has the molecular formula C16H23BrClN3 and a molecular weight of 372.74 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
PubChem CID102906922
Molecular FormulaC16H23BrClN3
Molecular Weight372.74 g/mol
Exact Mass371.08
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
SMILESCC(C)C(Cn1c(CCCl)nc2cc(Br)cnc21)C(C)C
InChIInChI=1S/C16H23BrClN3/c1-10(2)13(11(3)4)9-21-15(5-6-18)20-14-7-12(17)8-19-16(14)21/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyWIRXLYMXGJORJX-UHFFFAOYSA-N
XLogP4.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.74
LogP ≤ 54.90
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-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine (CID 102906922) is 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine is CC(C)C(Cn1c(CCCl)nc2cc(Br)cnc21)C(C)C.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?
The InChIKey is WIRXLYMXGJORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN3/c1-10(2)13(11(3)4)9-21-15(5-6-18)20-14-7-12(17)8-19-16(14)21/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine has a molecular weight of 372.74 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 102906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).