2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine

C13H18BrClN4 — CID 79302167

IUPAC2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H18BrClN4/c1-3-18(4-2)5-6-19-12(8-15)17-11-7-10(14)9-16-13(11)19/h7,9H,3-6,8H2,1-2H3
InChIKeyOMCIGCMZHWYMLD-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.27
Rot. Bonds6

About 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine

2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine (PubChem CID 79302167) has the molecular formula C13H18BrClN4 and a molecular weight of 345.67 g/mol. Its IUPAC name is 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
PubChem CID79302167
Molecular FormulaC13H18BrClN4
Molecular Weight345.67 g/mol
Exact Mass344.04
IUPAC Name2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C13H18BrClN4/c1-3-18(4-2)5-6-19-12(8-15)17-11-7-10(14)9-16-13(11)19/h7,9H,3-6,8H2,1-2H3
InChIKeyOMCIGCMZHWYMLD-UHFFFAOYSA-N
XLogP3.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine (CID 79302167) is 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine is CCN(CC)CCn1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine?
The InChIKey is OMCIGCMZHWYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN4/c1-3-18(4-2)5-6-19-12(8-15)17-11-7-10(14)9-16-13(11)19/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine?
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine has a molecular weight of 345.67 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine is sourced from PubChem (CID 79302167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).