benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate

C19H16FNO3 — CID 67513920

IUPACbenzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=C(c2ccc(F)cc2)N(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H16FNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyFHUZZQDDZWQHCX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.78
Rot. Bonds3

About benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate

benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 67513920) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID67513920
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Namebenzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=C(c2ccc(F)cc2)N(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H16FNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyFHUZZQDDZWQHCX-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 67513920) is benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate is O=C1C=C(c2ccc(F)cc2)N(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is FHUZZQDDZWQHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2.
What are the key properties of benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate?
benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 67513920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).