8-imidazo[1,5-a]pyridin-5-yloctanoic acid

C15H20N2O2 — CID 13206140

IUPAC8-imidazo[1,5-a]pyridin-5-yloctanoic acid
SMILESO=C(O)CCCCCCCc1cccc2cncn12
InChIInChI=1S/C15H20N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,1-5,7,10H2,(H,18,19)
InChIKeyOXXHNQLTJAVHCJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.30
Rot. Bonds8

About 8-imidazo[1,5-a]pyridin-5-yloctanoic acid

8-imidazo[1,5-a]pyridin-5-yloctanoic acid (PubChem CID 13206140) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-imidazo[1,5-a]pyridin-5-yloctanoic acid.

Molecular Properties

Compound Name8-imidazo[1,5-a]pyridin-5-yloctanoic acid
PubChem CID13206140
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name8-imidazo[1,5-a]pyridin-5-yloctanoic acid
SMILESO=C(O)CCCCCCCc1cccc2cncn12
InChIInChI=1S/C15H20N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,1-5,7,10H2,(H,18,19)
InChIKeyOXXHNQLTJAVHCJ-UHFFFAOYSA-N
XLogP3.30
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-imidazo[1,5-a]pyridin-5-yloctanoic acid?
The IUPAC name of 8-imidazo[1,5-a]pyridin-5-yloctanoic acid (CID 13206140) is 8-imidazo[1,5-a]pyridin-5-yloctanoic acid.
What is the SMILES notation for 8-imidazo[1,5-a]pyridin-5-yloctanoic acid?
The canonical SMILES for 8-imidazo[1,5-a]pyridin-5-yloctanoic acid is O=C(O)CCCCCCCc1cccc2cncn12.
What is the InChIKey of 8-imidazo[1,5-a]pyridin-5-yloctanoic acid?
The InChIKey is OXXHNQLTJAVHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,1-5,7,10H2,(H,18,19).
What are the key properties of 8-imidazo[1,5-a]pyridin-5-yloctanoic acid?
8-imidazo[1,5-a]pyridin-5-yloctanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazo[1,5-a]pyridin-5-yloctanoic acid is sourced from PubChem (CID 13206140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).