3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid

C12H14BrN3O3 — CID 178046893

IUPAC3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
SMILESCc1nc2ncc(Br)cc2n1CCOCCC(=O)O
InChIInChI=1S/C12H14BrN3O3/c1-8-15-12-10(6-9(13)7-14-12)16(8)3-5-19-4-2-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyZHCHLKHJNCUMSR-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.99
Rot. Bonds6

About 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid

3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid (PubChem CID 178046893) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
PubChem CID178046893
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
SMILESCc1nc2ncc(Br)cc2n1CCOCCC(=O)O
InChIInChI=1S/C12H14BrN3O3/c1-8-15-12-10(6-9(13)7-14-12)16(8)3-5-19-4-2-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyZHCHLKHJNCUMSR-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
CID 178046894
7-bromo-3-chloro-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 131845408
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522628
3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
CID 178046803
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
CID 178046918
3-[2-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]ethoxy]propanoic acid
CID 166554838

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid (CID 178046893) is 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid is Cc1nc2ncc(Br)cc2n1CCOCCC(=O)O.
What is the InChIKey of 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid?
The InChIKey is ZHCHLKHJNCUMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-8-15-12-10(6-9(13)7-14-12)16(8)3-5-19-4-2-11(17)18/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid?
3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid has a molecular weight of 328.17 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid is sourced from PubChem (CID 178046893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).