2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid

C10H9N3O4 — CID 83896390

IUPAC2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCc1nc([N+](=O)[O-])c2cccc(CC(=O)O)n12
InChIInChI=1S/C10H9N3O4/c1-6-11-10(13(16)17)8-4-2-3-7(12(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyQTPVBHBGIOTONT-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.18
Rot. Bonds3

About 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid

2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid (PubChem CID 83896390) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
PubChem CID83896390
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
SMILESCc1nc([N+](=O)[O-])c2cccc(CC(=O)O)n12
InChIInChI=1S/C10H9N3O4/c1-6-11-10(13(16)17)8-4-2-3-7(12(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyQTPVBHBGIOTONT-UHFFFAOYSA-N
XLogP1.18
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid (CID 83896390) is 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid is Cc1nc([N+](=O)[O-])c2cccc(CC(=O)O)n12.
What is the InChIKey of 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid?
The InChIKey is QTPVBHBGIOTONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-6-11-10(13(16)17)8-4-2-3-7(12(6)8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid?
2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid has a molecular weight of 235.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid is sourced from PubChem (CID 83896390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).