2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid

C20H16ClFN2O4 — CID 121243743

IUPAC2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid
SMILESCOc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C20H16ClFN2O4/c1-28-18-11-24(17(20(26)27)9-13-4-2-3-7-23-13)19(25)10-15(18)14-8-12(21)5-6-16(14)22/h2-8,10-11,17H,9H2,1H3,(H,26,27)
InChIKeyJSHGDLHRNJVBSV-UHFFFAOYSA-N
MW402.81 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid

2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid (PubChem CID 121243743) has the molecular formula C20H16ClFN2O4 and a molecular weight of 402.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid
PubChem CID121243743
Molecular FormulaC20H16ClFN2O4
Molecular Weight402.81 g/mol
Exact Mass402.08
IUPAC Name2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid
SMILESCOc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C20H16ClFN2O4/c1-28-18-11-24(17(20(26)27)9-13-4-2-3-7-23-13)19(25)10-15(18)14-8-12(21)5-6-16(14)22/h2-8,10-11,17H,9H2,1H3,(H,26,27)
InChIKeyJSHGDLHRNJVBSV-UHFFFAOYSA-N
XLogP3.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid (CID 121243743) is 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid is COc1cn(C(Cc2ccccn2)C(=O)O)c(=O)cc1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid?
The InChIKey is JSHGDLHRNJVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4/c1-28-18-11-24(17(20(26)27)9-13-4-2-3-7-23-13)19(25)10-15(18)14-8-12(21)5-6-16(14)22/h2-8,10-11,17H,9H2,1H3,(H,26,27).
What are the key properties of 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid?
2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid has a molecular weight of 402.81 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 121243743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).