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

C9H7BrN2O3 — CID 117254481

IUPAC2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)c2cc(O)ccn12
InChIInChI=1S/C9H7BrN2O3/c10-9-6-3-5(13)1-2-12(6)7(11-9)4-8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyCJKHVEBEPBOVMM-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.43
Rot. Bonds2

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

2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 117254481) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID117254481
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc(Br)c2cc(O)ccn12
InChIInChI=1S/C9H7BrN2O3/c10-9-6-3-5(13)1-2-12(6)7(11-9)4-8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyCJKHVEBEPBOVMM-UHFFFAOYSA-N
XLogP1.43
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 117254481) is 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nc(Br)c2cc(O)ccn12.
What is the InChIKey of 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is CJKHVEBEPBOVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-9-6-3-5(13)1-2-12(6)7(11-9)4-8(14)15/h1-3,13H,4H2,(H,14,15).
What are the key properties of 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 117254481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).