3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C11H11FN2O2 — CID 83890451

IUPAC3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)n2c(F)cccc12
InChIInChI=1S/C11H11FN2O2/c1-7-8-3-2-4-9(12)14(8)10(13-7)5-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyNTYLFBQUBJCYMM-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.80
Rot. Bonds3

About 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 83890451) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID83890451
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCc1nc(CCC(=O)O)n2c(F)cccc12
InChIInChI=1S/C11H11FN2O2/c1-7-8-3-2-4-9(12)14(8)10(13-7)5-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyNTYLFBQUBJCYMM-UHFFFAOYSA-N
XLogP1.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 137005772
3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83836478
4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 84742117
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
1-(5-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 115018891
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-chloro-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83834906
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
3-[5-(2-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82480476
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878679

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 83890451) is 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is Cc1nc(CCC(=O)O)n2c(F)cccc12.
What is the InChIKey of 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is NTYLFBQUBJCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7-8-3-2-4-9(12)14(8)10(13-7)5-6-11(15)16/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 222.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 83890451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).