ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate

C17H16FNO3 — CID 175752121

IUPACethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c(=O)ccn1C1CC1
InChIInChI=1S/C17H16FNO3/c1-2-22-17(21)16-15(11-3-5-12(18)6-4-11)14(20)9-10-19(16)13-7-8-13/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyLASLFRMNBNVZOR-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.17
Rot. Bonds4

About ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate

ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate (PubChem CID 175752121) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate
PubChem CID175752121
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Nameethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)c(=O)ccn1C1CC1
InChIInChI=1S/C17H16FNO3/c1-2-22-17(21)16-15(11-3-5-12(18)6-4-11)14(20)9-10-19(16)13-7-8-13/h3-6,9-10,13H,2,7-8H2,1H3
InChIKeyLASLFRMNBNVZOR-UHFFFAOYSA-N
XLogP3.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate (CID 175752121) is ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)c(=O)ccn1C1CC1.
What is the InChIKey of ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate?
The InChIKey is LASLFRMNBNVZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-2-22-17(21)16-15(11-3-5-12(18)6-4-11)14(20)9-10-19(16)13-7-8-13/h3-6,9-10,13H,2,7-8H2,1H3.
What are the key properties of ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate?
ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate has a molecular weight of 301.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-3-(4-fluorophenyl)-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 175752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).