1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid

C19H14F2N2O4 — CID 118213141

IUPAC1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1
InChIInChI=1S/C19H14F2N2O4/c20-17-12(9-22-8-2-1-3-15(22)24)4-5-13(18(17)21)10-23-11-14(19(26)27)6-7-16(23)25/h1-8,11H,9-10H2,(H,26,27)
InChIKeyHCEDBAKZGYUHQL-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.08
Rot. Bonds5

About 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid

1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 118213141) has the molecular formula C19H14F2N2O4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID118213141
Molecular FormulaC19H14F2N2O4
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1
InChIInChI=1S/C19H14F2N2O4/c20-17-12(9-22-8-2-1-3-15(22)24)4-5-13(18(17)21)10-23-11-14(19(26)27)6-7-16(23)25/h1-8,11H,9-10H2,(H,26,27)
InChIKeyHCEDBAKZGYUHQL-UHFFFAOYSA-N
XLogP2.08
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid with MolForge

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Related Compounds

1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 2764224
2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775908
(Z)-4-[1-[(2,3-difluorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70684012
(Z)-4-[5-[(2,4-difluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70684013
(Z)-4-[5-benzyl-1-[(2,4-difluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686125
(Z)-4-[1-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686128
(Z)-4-[5-benzyl-1-[(2,3-difluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70686141
(Z)-4-[1,5-bis[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70688260
(Z)-4-[5-[(2,4-difluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 70688283
(Z)-4-[1,5-bis[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70690273
(Z)-4-[5-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70692447
(Z)-4-[1-[(2,3-difluorophenyl)methyl]-5-[(2-fluorophenyl)methyl]-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid
CID 70692453

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid (CID 118213141) is 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2F)c1.
What is the InChIKey of 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is HCEDBAKZGYUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4/c20-17-12(9-22-8-2-1-3-15(22)24)4-5-13(18(17)21)10-23-11-14(19(26)27)6-7-16(23)25/h1-8,11H,9-10H2,(H,26,27).
What are the key properties of 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 372.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).