methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate

C15H12F2N2O4 — CID 175935669

IUPACmethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)c(C(=O)NCc2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C15H12F2N2O4/c1-23-15(22)12-5-13(20)10(7-18-12)14(21)19-6-8-2-3-9(16)4-11(8)17/h2-5,7H,6H2,1H3,(H,18,20)(H,19,21)
InChIKeyMVGJAGVTOVFBIJ-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.37
Rot. Bonds4

About methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate

methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate (PubChem CID 175935669) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate
PubChem CID175935669
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Namemethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1cc(=O)c(C(=O)NCc2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C15H12F2N2O4/c1-23-15(22)12-5-13(20)10(7-18-12)14(21)19-6-8-2-3-9(16)4-11(8)17/h2-5,7H,6H2,1H3,(H,18,20)(H,19,21)
InChIKeyMVGJAGVTOVFBIJ-UHFFFAOYSA-N
XLogP1.37
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate (CID 175935669) is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate is COC(=O)c1cc(=O)c(C(=O)NCc2ccc(F)cc2F)c[nH]1.
What is the InChIKey of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate?
The InChIKey is MVGJAGVTOVFBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c1-23-15(22)12-5-13(20)10(7-18-12)14(21)19-6-8-2-3-9(16)4-11(8)17/h2-5,7H,6H2,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate?
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate has a molecular weight of 322.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 175935669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).