3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid

C10H9N3O3 — CID 84740260

IUPAC3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESNCc1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C10H9N3O3/c11-4-9-12-7(5-14)8-3-6(10(15)16)1-2-13(8)9/h1-3,5H,4,11H2,(H,15,16)
InChIKeyZLPHOQSBLNEYLM-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.30
Rot. Bonds3

About 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid

3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84740260) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84740260
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESNCc1nc(C=O)c2cc(C(=O)O)ccn12
InChIInChI=1S/C10H9N3O3/c11-4-9-12-7(5-14)8-3-6(10(15)16)1-2-13(8)9/h1-3,5H,4,11H2,(H,15,16)
InChIKeyZLPHOQSBLNEYLM-UHFFFAOYSA-N
XLogP0.30
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84740260) is 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid is NCc1nc(C=O)c2cc(C(=O)O)ccn12.
What is the InChIKey of 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is ZLPHOQSBLNEYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-4-9-12-7(5-14)8-3-6(10(15)16)1-2-13(8)9/h1-3,5H,4,11H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid?
3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-formylimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84740260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).