ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate

C16H16FNO3 — CID 11637841

IUPACethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccccc2F)c1C
InChIInChI=1S/C16H16FNO3/c1-4-21-16(20)15-10(2)9-14(19)18(11(15)3)13-8-6-5-7-12(13)17/h5-9H,4H2,1-3H3
InChIKeyGOHZZWZWNAJYFN-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.77
Rot. Bonds3

About ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate

ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate (PubChem CID 11637841) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
PubChem CID11637841
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccccc2F)c1C
InChIInChI=1S/C16H16FNO3/c1-4-21-16(20)15-10(2)9-14(19)18(11(15)3)13-8-6-5-7-12(13)17/h5-9H,4H2,1-3H3
InChIKeyGOHZZWZWNAJYFN-UHFFFAOYSA-N
XLogP2.77
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate (CID 11637841) is ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(-c2ccccc2F)c1C.
What is the InChIKey of ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is GOHZZWZWNAJYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-4-21-16(20)15-10(2)9-14(19)18(11(15)3)13-8-6-5-7-12(13)17/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate?
ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).