6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C9H6F3N3O2 — CID 83843634

IUPAC6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-6(7(16)17)5-2-1-4(13)3-15(5)8/h1-3H,13H2,(H,16,17)
InChIKeyDQTLNDSUACPNNQ-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.63
Rot. Bonds1

About 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 83843634) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID83843634
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-6(7(16)17)5-2-1-4(13)3-15(5)8/h1-3H,13H2,(H,16,17)
InChIKeyDQTLNDSUACPNNQ-UHFFFAOYSA-N
XLogP1.63
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 83843634) is 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1.
What is the InChIKey of 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is DQTLNDSUACPNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)8-14-6(7(16)17)5-2-1-4(13)3-15(5)8/h1-3H,13H2,(H,16,17).
What are the key properties of 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 83843634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).