8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C14H10FN3O2 — CID 117252626

IUPAC8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(-c3ccc(F)cc3)nc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O2/c15-9-5-3-8(4-6-9)13-17-11(14(19)20)12-10(16)2-1-7-18(12)13/h1-7H,16H2,(H,19,20)
InChIKeyJVVBXNZOBFAVLG-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.42
Rot. Bonds2

About 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252626) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252626
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccn2c(-c3ccc(F)cc3)nc(C(=O)O)c12
InChIInChI=1S/C14H10FN3O2/c15-9-5-3-8(4-6-9)13-17-11(14(19)20)12-10(16)2-1-7-18(12)13/h1-7H,16H2,(H,19,20)
InChIKeyJVVBXNZOBFAVLG-UHFFFAOYSA-N
XLogP2.42
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252626) is 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccn2c(-c3ccc(F)cc3)nc(C(=O)O)c12.
What is the InChIKey of 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is JVVBXNZOBFAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-9-5-3-8(4-6-9)13-17-11(14(19)20)12-10(16)2-1-7-18(12)13/h1-7H,16H2,(H,19,20).
What are the key properties of 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).