methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate

C20H15FN2O5 — CID 67337653

IUPACmethyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(C(=O)OC)cc(-c3ccc(F)cc3)c2=O)nc1
InChIInChI=1S/C20H15FN2O5/c1-27-19(25)13-5-8-17(22-10-13)23-11-14(20(26)28-2)9-16(18(23)24)12-3-6-15(21)7-4-12/h3-11H,1-2H3
InChIKeyZXTAXTBOZBVPSA-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.61
Rot. Bonds4

About methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate

methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate (PubChem CID 67337653) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate
PubChem CID67337653
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Namemethyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-n2cc(C(=O)OC)cc(-c3ccc(F)cc3)c2=O)nc1
InChIInChI=1S/C20H15FN2O5/c1-27-19(25)13-5-8-17(22-10-13)23-11-14(20(26)28-2)9-16(18(23)24)12-3-6-15(21)7-4-12/h3-11H,1-2H3
InChIKeyZXTAXTBOZBVPSA-UHFFFAOYSA-N
XLogP2.61
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate (CID 67337653) is methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(-n2cc(C(=O)OC)cc(-c3ccc(F)cc3)c2=O)nc1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate?
The InChIKey is ZXTAXTBOZBVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-27-19(25)13-5-8-17(22-10-13)23-11-14(20(26)28-2)9-16(18(23)24)12-3-6-15(21)7-4-12/h3-11H,1-2H3.
What are the key properties of methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate?
methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate has a molecular weight of 382.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-1-(5-methoxycarbonyl-2-pyridinyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 67337653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).