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

C9H8ClN3O2 — CID 84740466

IUPAC3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESNCc1nc(Cl)c2cc(C(=O)O)ccn12
InChIInChI=1S/C9H8ClN3O2/c10-8-6-3-5(9(14)15)1-2-13(6)7(4-11)12-8/h1-3H,4,11H2,(H,14,15)
InChIKeyYDBDNWHARJRIJH-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.14
Rot. Bonds2

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

3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 84740466) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
PubChem CID84740466
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid
SMILESNCc1nc(Cl)c2cc(C(=O)O)ccn12
InChIInChI=1S/C9H8ClN3O2/c10-8-6-3-5(9(14)15)1-2-13(6)7(4-11)12-8/h1-3H,4,11H2,(H,14,15)
InChIKeyYDBDNWHARJRIJH-UHFFFAOYSA-N
XLogP1.14
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid (CID 84740466) is 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid is NCc1nc(Cl)c2cc(C(=O)O)ccn12.
What is the InChIKey of 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is YDBDNWHARJRIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-8-6-3-5(9(14)15)1-2-13(6)7(4-11)12-8/h1-3H,4,11H2,(H,14,15).
What are the key properties of 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid?
3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 225.64 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 84740466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).