methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate

C14H11ClFNO3 — CID 2809326

IUPACmethyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(Cl)cc2)cc(F)c1=O
InChIInChI=1S/C14H11ClFNO3/c1-20-14(19)11-7-17(8-12(16)13(11)18)6-9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyWUJXCEGXMLBPKN-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.48
Rot. Bonds3

About methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate

methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate (PubChem CID 2809326) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate
PubChem CID2809326
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Namemethyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(Cl)cc2)cc(F)c1=O
InChIInChI=1S/C14H11ClFNO3/c1-20-14(19)11-7-17(8-12(16)13(11)18)6-9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyWUJXCEGXMLBPKN-UHFFFAOYSA-N
XLogP2.48
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate (CID 2809326) is methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate is COC(=O)c1cn(Cc2ccc(Cl)cc2)cc(F)c1=O.
What is the InChIKey of methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate?
The InChIKey is WUJXCEGXMLBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-20-14(19)11-7-17(8-12(16)13(11)18)6-9-2-4-10(15)5-3-9/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate?
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate has a molecular weight of 295.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 2809326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).