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

C10H7F3N2O3 — CID 84742603

IUPAC6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1
InChIInChI=1S/C10H7F3N2O3/c1-18-5-2-3-6-7(8(16)17)14-9(10(11,12)13)15(6)4-5/h2-4H,1H3,(H,16,17)
InChIKeyMAYMFUKWLRAQEX-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.06
Rot. Bonds2

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

6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84742603) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84742603
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1
InChIInChI=1S/C10H7F3N2O3/c1-18-5-2-3-6-7(8(16)17)14-9(10(11,12)13)15(6)4-5/h2-4H,1H3,(H,16,17)
InChIKeyMAYMFUKWLRAQEX-UHFFFAOYSA-N
XLogP2.06
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84742603) is 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COc1ccc2c(C(=O)O)nc(C(F)(F)F)n2c1.
What is the InChIKey of 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is MAYMFUKWLRAQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-18-5-2-3-6-7(8(16)17)14-9(10(11,12)13)15(6)4-5/h2-4H,1H3,(H,16,17).
What are the key properties of 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 260.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84742603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).