6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid

C13H12FN3O3 — CID 10107534

IUPAC6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(N3CCCC3)c(F)cc2c1=O
InChIInChI=1S/C13H12FN3O3/c14-9-5-7-10(18)8(13(19)20)6-15-11(7)16-12(9)17-3-1-2-4-17/h5-6H,1-4H2,(H,19,20)(H,15,16,18)
InChIKeyWAQPXPPRAVOEPH-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.36
Rot. Bonds2

About 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid

6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10107534) has the molecular formula C13H12FN3O3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID10107534
Molecular FormulaC13H12FN3O3
Molecular Weight277.25 g/mol
Exact Mass277.09
IUPAC Name6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2nc(N3CCCC3)c(F)cc2c1=O
InChIInChI=1S/C13H12FN3O3/c14-9-5-7-10(18)8(13(19)20)6-15-11(7)16-12(9)17-3-1-2-4-17/h5-6H,1-4H2,(H,19,20)(H,15,16,18)
InChIKeyWAQPXPPRAVOEPH-UHFFFAOYSA-N
XLogP1.36
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid (CID 10107534) is 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1c[nH]c2nc(N3CCCC3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WAQPXPPRAVOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c14-9-5-7-10(18)8(13(19)20)6-15-11(7)16-12(9)17-3-1-2-4-17/h5-6H,1-4H2,(H,19,20)(H,15,16,18).
What are the key properties of 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-pyrrolidin-1-yl-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10107534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).