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

C12H15BrClN3O — CID 79302301

IUPAC6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine
SMILESCOCC(C)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3O/c1-7(6-18-3)17-11(8(2)14)16-10-4-9(13)5-15-12(10)17/h4-5,7-8H,6H2,1-3H3
InChIKeyMRVAUIHFSSFOAX-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.70
Rot. Bonds4

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

6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 79302301) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine
PubChem CID79302301
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine
SMILESCOCC(C)n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C12H15BrClN3O/c1-7(6-18-3)17-11(8(2)14)16-10-4-9(13)5-15-12(10)17/h4-5,7-8H,6H2,1-3H3
InChIKeyMRVAUIHFSSFOAX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
6-bromo-2-(1-chloroethyl)-3-(3-ethylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79302839
2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79306116
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
6-bromo-2-(1-chloroethyl)-3-(2-ethylcyclopropyl)imidazo[4,5-b]pyridine
CID 114109176
6-bromo-2-(1-chloroethyl)-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79278437
2-(1-chloroethyl)-1-(1-methoxypropan-2-yl)-7-methylbenzimidazole
CID 113334002
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
CID 107576204
6-bromo-2-(1-chloroethyl)-3-cycloheptylimidazo[4,5-b]pyridine
CID 79302816

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine (CID 79302301) is 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine is COCC(C)n1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is MRVAUIHFSSFOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-7(6-18-3)17-11(8(2)14)16-10-4-9(13)5-15-12(10)17/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 332.63 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).