1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid

C16H15F2NO3 — CID 59718762

IUPAC1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3/c1-3-14-9(2)6-12(16(21)22)15(20)19(14)8-10-4-5-11(17)7-13(10)18/h4-7H,3,8H2,1-2H3,(H,21,22)
InChIKeyTUDSPUSBHGIWRJ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.74
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid

1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 59718762) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID59718762
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3/c1-3-14-9(2)6-12(16(21)22)15(20)19(14)8-10-4-5-11(17)7-13(10)18/h4-7H,3,8H2,1-2H3,(H,21,22)
InChIKeyTUDSPUSBHGIWRJ-UHFFFAOYSA-N
XLogP2.74
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid (CID 59718762) is 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid is CCc1c(C)cc(C(=O)O)c(=O)n1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is TUDSPUSBHGIWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-3-14-9(2)6-12(16(21)22)15(20)19(14)8-10-4-5-11(17)7-13(10)18/h4-7H,3,8H2,1-2H3,(H,21,22).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid?
1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 307.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 59718762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).