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

C19H15FN2O4 — CID 118212626

IUPAC1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C19H15FN2O4/c20-16-9-13(10-22-12-15(19(25)26)6-7-18(22)24)4-5-14(16)11-21-8-2-1-3-17(21)23/h1-9,12H,10-11H2,(H,25,26)
InChIKeyLRMQIQBBYNLFSQ-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.94
Rot. Bonds5

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

1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 118212626) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID118212626
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(Cn3ccccc3=O)c(F)c2)c1
InChIInChI=1S/C19H15FN2O4/c20-16-9-13(10-22-12-15(19(25)26)6-7-18(22)24)4-5-14(16)11-21-8-2-1-3-17(21)23/h1-9,12H,10-11H2,(H,25,26)
InChIKeyLRMQIQBBYNLFSQ-UHFFFAOYSA-N
XLogP1.94
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid (CID 118212626) is 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[[3-fluoro-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)c2)c1.
What is the InChIKey of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is LRMQIQBBYNLFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c20-16-9-13(10-22-12-15(19(25)26)6-7-18(22)24)4-5-14(16)11-21-8-2-1-3-17(21)23/h1-9,12H,10-11H2,(H,25,26).
What are the key properties of 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid?
1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 354.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118212626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).