2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

C15H14FNO3 — CID 75401603

IUPAC2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCCc2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H14FNO3/c1-10-8-12(9-14(18)17-10)15(19)20-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyUWSQHAVGHVYOMT-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.22
Rot. Bonds4

About 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 75401603) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID75401603
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCc1cc(C(=O)OCCc2ccc(F)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H14FNO3/c1-10-8-12(9-14(18)17-10)15(19)20-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyUWSQHAVGHVYOMT-UHFFFAOYSA-N
XLogP2.22
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (CID 75401603) is 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is Cc1cc(C(=O)OCCc2ccc(F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is UWSQHAVGHVYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-8-12(9-14(18)17-10)15(19)20-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 75401603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).