2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid

C9H11BrN2O2 — CID 83844330

IUPAC2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)c2n1CCCC2
InChIInChI=1S/C9H11BrN2O2/c10-9-6-3-1-2-4-12(6)7(11-9)5-8(13)14/h1-5H2,(H,13,14)
InChIKeyFUAUGIPTVLDWKG-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.61
Rot. Bonds2

About 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid

2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 83844330) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID83844330
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)c2n1CCCC2
InChIInChI=1S/C9H11BrN2O2/c10-9-6-3-1-2-4-12(6)7(11-9)5-8(13)14/h1-5H2,(H,13,14)
InChIKeyFUAUGIPTVLDWKG-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 83844330) is 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nc(Br)c2n1CCCC2.
What is the InChIKey of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is FUAUGIPTVLDWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-9-6-3-1-2-4-12(6)7(11-9)5-8(13)14/h1-5H2,(H,13,14).
What are the key properties of 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 259.10 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 83844330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).