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

C14H12BrN3O — CID 23026040

IUPAC6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H12BrN3O/c1-2-19-11-5-3-4-9(6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyBDOCOBLDNXZCGA-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.79
Rot. Bonds3

About 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23026040) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23026040
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H12BrN3O/c1-2-19-11-5-3-4-9(6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyBDOCOBLDNXZCGA-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
6-bromo-2-(3-bromo-5-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 115999483
2-(3-butan-2-yloxyphenyl)-6-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 68894960
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 54939914
2-(3-ethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62252661
6-bromo-2-(2-fluoro-3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 81477184

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 23026040) is 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine is CCOc1cccc(-c2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is BDOCOBLDNXZCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-2-19-11-5-3-4-9(6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23026040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).