methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate

C15H11FN2O2 — CID 57436206

IUPACmethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)13-12-4-2-3-9-18(12)14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3
InChIKeyVRKZPGBMEDXVKL-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.93
Rot. Bonds2

About methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 57436206) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
PubChem CID57436206
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C15H11FN2O2/c1-20-15(19)13-12-4-2-3-9-18(12)14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3
InChIKeyVRKZPGBMEDXVKL-UHFFFAOYSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate (CID 57436206) is methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(-c2ccc(F)cc2)n2ccccc12.
What is the InChIKey of methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is VRKZPGBMEDXVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-20-15(19)13-12-4-2-3-9-18(12)14(17-13)10-5-7-11(16)8-6-10/h2-9H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 57436206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).