5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid

C17H16FNO5 — CID 167992438

IUPAC5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cc(F)ccc2OCC2CCCO2)c1
InChIInChI=1S/C17H16FNO5/c18-11-3-4-15(24-9-12-2-1-5-23-12)13(7-11)14-6-10(17(21)22)8-19-16(14)20/h3-4,6-8,12H,1-2,5,9H2,(H,19,20)(H,21,22)
InChIKeyCKZURNKBIWBZIV-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.44
Rot. Bonds5

About 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid

5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 167992438) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID167992438
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Name5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cc(F)ccc2OCC2CCCO2)c1
InChIInChI=1S/C17H16FNO5/c18-11-3-4-15(24-9-12-2-1-5-23-12)13(7-11)14-6-10(17(21)22)8-19-16(14)20/h3-4,6-8,12H,1-2,5,9H2,(H,19,20)(H,21,22)
InChIKeyCKZURNKBIWBZIV-UHFFFAOYSA-N
XLogP2.44
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
3-[[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]methyl]benzoic acid
CID 122029822
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
1-[4-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]piperidin-1-yl]ethanone
CID 97332544
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid (CID 167992438) is 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cc(F)ccc2OCC2CCCO2)c1.
What is the InChIKey of 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is CKZURNKBIWBZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c18-11-3-4-15(24-9-12-2-1-5-23-12)13(7-11)14-6-10(17(21)22)8-19-16(14)20/h3-4,6-8,12H,1-2,5,9H2,(H,19,20)(H,21,22).
What are the key properties of 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid?
5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 167992438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).