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

C9H7N3O4 — CID 83889798

IUPAC2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc([N+](=O)[O-])c2ccccn12
InChIInChI=1S/C9H7N3O4/c13-8(14)5-7-10-9(12(15)16)6-3-1-2-4-11(6)7/h1-4H,5H2,(H,13,14)
InChIKeyVVWJJRMJWRLIAB-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.87
Rot. Bonds3

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

2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 83889798) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID83889798
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc([N+](=O)[O-])c2ccccn12
InChIInChI=1S/C9H7N3O4/c13-8(14)5-7-10-9(12(15)16)6-3-1-2-4-11(6)7/h1-4H,5H2,(H,13,14)
InChIKeyVVWJJRMJWRLIAB-UHFFFAOYSA-N
XLogP0.87
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.87
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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Related Compounds

2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83898442
1-(1-nitroimidazo[1,5-a]pyridin-3-yl)propan-2-amine
CID 83889324
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
CID 86711675
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83896390
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
2-(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 75357284
2-(3-ethylimidazo[1,5-a]pyridin-8-yl)acetic acid
CID 83832478
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878677
2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254481
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 83889798) is 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nc([N+](=O)[O-])c2ccccn12.
What is the InChIKey of 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is VVWJJRMJWRLIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c13-8(14)5-7-10-9(12(15)16)6-3-1-2-4-11(6)7/h1-4H,5H2,(H,13,14).
What are the key properties of 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 221.17 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 83889798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).