4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

C15H12BrN3O2 — CID 145486335

IUPAC4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCCc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C15H12BrN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYCTIHRFGAJNMMS-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.65
Rot. Bonds3

About 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid

4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (PubChem CID 145486335) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
PubChem CID145486335
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid
SMILESCCc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C15H12BrN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYCTIHRFGAJNMMS-UHFFFAOYSA-N
XLogP3.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
4-[2-[4-[10,15,20-tris[4-[2-(4-carboxyphenyl)ethynyl]phenyl]-2,3,7,8,12,13,17,18-octaethyl-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]benzoic acid
CID 122223258
4-(5-methyl-1H-imidazol-2-yl)benzoic acid
CID 57290207
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
4-[[4-[6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]piperazine-1-carboxylic acid
CID 69175652
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid
CID 56712611
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
4-[(2-amino-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)sulfanyl]benzoic acid
CID 177400345
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 69375665
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 122446562
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (CID 145486335) is 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is CCc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12.
What is the InChIKey of 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
The InChIKey is YCTIHRFGAJNMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-2-10-11(16)7-17-14-12(10)18-13(19-14)8-3-5-9(6-4-8)15(20)21/h3-7H,2H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid?
4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid has a molecular weight of 346.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-7-ethyl-1H-imidazo[4,5-b]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 145486335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).