2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid

C10H10BrN3O3 — CID 58380641

IUPAC2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid
SMILESCCn1c(=O)n(CC(=O)O)c2cc(Br)cnc21
InChIInChI=1S/C10H10BrN3O3/c1-2-13-9-7(3-6(11)4-12-9)14(10(13)17)5-8(15)16/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyXJUQBAICWGHWFP-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.07
Rot. Bonds3

About 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid

2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid (PubChem CID 58380641) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid
PubChem CID58380641
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid
SMILESCCn1c(=O)n(CC(=O)O)c2cc(Br)cnc21
InChIInChI=1S/C10H10BrN3O3/c1-2-13-9-7(3-6(11)4-12-9)14(10(13)17)5-8(15)16/h3-4H,2,5H2,1H3,(H,15,16)
InChIKeyXJUQBAICWGHWFP-UHFFFAOYSA-N
XLogP1.07
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3H-imidazo[4,5-b]pyridin-2-ol
CID 1924413
6-Bromo-1,3-dimethyl-1h-imidazo[4,5-b]pyridin-2(3h)-one
CID 665048
1-Acetyl-6-bromo-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145966962
6-Bromo-1-(2-chloroacetyl)-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145967274
6-bromo-1-cyclopentyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one
CID 71299221
6-Bromo-1-pentanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145964422
6-Bromo-1-butanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145964442
6-Bromo-1-(cyclopropanecarbonyl)-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145965361
6-Bromo-1-heptanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145974011
6-Bromo-1-hexanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145975463
6-Bromo-1-propanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145976757
6-Bromo-1-octanoyl-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145978588

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid (CID 58380641) is 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid is CCn1c(=O)n(CC(=O)O)c2cc(Br)cnc21.
What is the InChIKey of 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid?
The InChIKey is XJUQBAICWGHWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-2-13-9-7(3-6(11)4-12-9)14(10(13)17)5-8(15)16/h3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid?
2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid has a molecular weight of 300.11 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 58380641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).