2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine

C14H12BrN3O — CID 115999492

IUPAC2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc(C)cc(Br)c3)nc2n1
InChIInChI=1S/C14H12BrN3O/c1-8-5-9(7-10(15)6-8)13-16-11-3-4-12(19-2)17-14(11)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyYLUKTRQGQMQMTH-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.70
Rot. Bonds2

About 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine

2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 115999492) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID115999492
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cc(C)cc(Br)c3)nc2n1
InChIInChI=1S/C14H12BrN3O/c1-8-5-9(7-10(15)6-8)13-16-11-3-4-12(19-2)17-14(11)18-13/h3-7H,1-2H3,(H,16,17,18)
InChIKeyYLUKTRQGQMQMTH-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704555
2-(3,5-dibromophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 107972981
6-bromo-2-(3-bromo-5-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 115999483
6-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)quinoxaline
CID 65483661
2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 65485203
2-(2-bromo-5-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483476
2-(3-chloro-4-fluorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 82879286
5-methoxy-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
CID 65485621
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
CID 136750901
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79402165
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483074

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 115999492) is 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(-c3cc(C)cc(Br)c3)nc2n1.
What is the InChIKey of 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is YLUKTRQGQMQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-8-5-9(7-10(15)6-8)13-16-11-3-4-12(19-2)17-14(11)18-13/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylphenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 115999492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).