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

C12H15BrClN3O — CID 104763494

IUPAC6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOC(C)(C)Cn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3O/c1-12(2,18-3)7-17-10(5-14)16-9-4-8(13)6-15-11(9)17/h4,6H,5,7H2,1-3H3
InChIKeyVDHNTTCHYHTTDE-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.36
Rot. Bonds4

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

6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine (PubChem CID 104763494) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
PubChem CID104763494
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
SMILESCOC(C)(C)Cn1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3O/c1-12(2,18-3)7-17-10(5-14)16-9-4-8(13)6-15-11(9)17/h4,6H,5,7H2,1-3H3
InChIKeyVDHNTTCHYHTTDE-UHFFFAOYSA-N
XLogP3.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.36
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-(chloromethyl)-3-(4,4,4-trifluorobutyl)imidazo[4,5-b]pyridine
CID 113327887
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
CID 79302167
6-bromo-2-(chloromethyl)-3-(3-propoxypropyl)imidazo[4,5-b]pyridine
CID 82944313
6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79302530
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79302121
6-bromo-2-(chloromethyl)-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101198
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928
6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79302700
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79302461
5-[2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420373

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine (CID 104763494) is 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine is COC(C)(C)Cn1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is VDHNTTCHYHTTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-12(2,18-3)7-17-10(5-14)16-9-4-8(13)6-15-11(9)17/h4,6H,5,7H2,1-3H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 332.63 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 104763494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).