2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid

C9H6FN3O4 — CID 83898442

IUPAC2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc([N+](=O)[O-])c2c(F)cccn12
InChIInChI=1S/C9H6FN3O4/c10-5-2-1-3-12-6(4-7(14)15)11-9(8(5)12)13(16)17/h1-3H,4H2,(H,14,15)
InChIKeySWXGNODYEIBMHT-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.01
Rot. Bonds3

About 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid

2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 83898442) has the molecular formula C9H6FN3O4 and a molecular weight of 239.16 g/mol. Its IUPAC name is 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID83898442
Molecular FormulaC9H6FN3O4
Molecular Weight239.16 g/mol
Exact Mass239.03
IUPAC Name2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1nc([N+](=O)[O-])c2c(F)cccn12
InChIInChI=1S/C9H6FN3O4/c10-5-2-1-3-12-6(4-7(14)15)11-9(8(5)12)13(16)17/h1-3H,4H2,(H,14,15)
InChIKeySWXGNODYEIBMHT-UHFFFAOYSA-N
XLogP1.01
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.01
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-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83889798
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878677
1-[(2-fluorophenyl)methyl]-3-nitropyrazole-4-carboxylic acid
CID 122171724
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
3-ethyl-8-fluoro-N,N-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 112552244
2-(8-fluoro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529262
2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
CID 86711675
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
2-(3-methyl-1-nitroimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83896390
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 83898442) is 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)Cc1nc([N+](=O)[O-])c2c(F)cccn12.
What is the InChIKey of 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is SWXGNODYEIBMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O4/c10-5-2-1-3-12-6(4-7(14)15)11-9(8(5)12)13(16)17/h1-3H,4H2,(H,14,15).
What are the key properties of 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 239.16 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 83898442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).