5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid

C13H11F2NO4 — CID 4207788

IUPAC5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccc(F)c(F)c2)C(=O)NCC1
InChIInChI=1S/C13H11F2NO4/c14-9-2-1-7(5-10(9)15)6-20-11-8(13(18)19)3-4-16-12(11)17/h1-2,5H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyPCPCDDOPWCWZAT-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.34
Rot. Bonds4

About 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid

5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid (PubChem CID 4207788) has the molecular formula C13H11F2NO4 and a molecular weight of 283.23 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid
PubChem CID4207788
Molecular FormulaC13H11F2NO4
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Name5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccc(F)c(F)c2)C(=O)NCC1
InChIInChI=1S/C13H11F2NO4/c14-9-2-1-7(5-10(9)15)6-20-11-8(13(18)19)3-4-16-12(11)17/h1-2,5H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyPCPCDDOPWCWZAT-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid (CID 4207788) is 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid is O=C(O)C1=C(OCc2ccc(F)c(F)c2)C(=O)NCC1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The InChIKey is PCPCDDOPWCWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4/c14-9-2-1-7(5-10(9)15)6-20-11-8(13(18)19)3-4-16-12(11)17/h1-2,5H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid?
5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid has a molecular weight of 283.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methoxy]-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 4207788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).