2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid

C8H6BrN3O2 — CID 82061401

IUPAC2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2cc(Br)cnc21
InChIInChI=1S/C8H6BrN3O2/c9-5-1-6-8(10-2-5)12(4-11-6)3-7(13)14/h1-2,4H,3H2,(H,13,14)
InChIKeyYDLBNADLASFEQN-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.28
Rot. Bonds2

About 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid

2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid (PubChem CID 82061401) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
PubChem CID82061401
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid
SMILESO=C(O)Cn1cnc2cc(Br)cnc21
InChIInChI=1S/C8H6BrN3O2/c9-5-1-6-8(10-2-5)12(4-11-6)3-7(13)14/h1-2,4H,3H2,(H,13,14)
InChIKeyYDLBNADLASFEQN-UHFFFAOYSA-N
XLogP1.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061378
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150754
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylethanone
CID 82151816
3-(6-bromoimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150912
3-(6-bromotriazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 83681307
2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid
CID 58380641
2-(6-hydroxybenzimidazol-1-yl)acetic acid
CID 84772237
3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
2-[2-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 83170475
2-(6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
CID 82151278
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid (CID 82061401) is 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid is O=C(O)Cn1cnc2cc(Br)cnc21.
What is the InChIKey of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid?
The InChIKey is YDLBNADLASFEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-5-1-6-8(10-2-5)12(4-11-6)3-7(13)14/h1-2,4H,3H2,(H,13,14).
What are the key properties of 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid?
2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid has a molecular weight of 256.06 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[4,5-b]pyridin-3-yl)acetic acid is sourced from PubChem (CID 82061401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).