8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione

C8H7FN2O2 — CID 169245891

IUPAC8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
SMILESO=C1CCc2c[nH]c(=O)c(F)c2N1
InChIInChI=1S/C8H7FN2O2/c9-6-7-4(3-10-8(6)13)1-2-5(12)11-7/h3H,1-2H2,(H,10,13)(H,11,12)
InChIKeyDLCCCBQMEPRIOS-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.40
Rot. Bonds

About 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione

8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione (PubChem CID 169245891) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione.

Molecular Properties

Compound Name8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
PubChem CID169245891
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione
SMILESO=C1CCc2c[nH]c(=O)c(F)c2N1
InChIInChI=1S/C8H7FN2O2/c9-6-7-4(3-10-8(6)13)1-2-5(12)11-7/h3H,1-2H2,(H,10,13)(H,11,12)
InChIKeyDLCCCBQMEPRIOS-UHFFFAOYSA-N
XLogP0.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The IUPAC name of 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione (CID 169245891) is 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione.
What is the SMILES notation for 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The canonical SMILES for 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione is O=C1CCc2c[nH]c(=O)c(F)c2N1.
What is the InChIKey of 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
The InChIKey is DLCCCBQMEPRIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-6-7-4(3-10-8(6)13)1-2-5(12)11-7/h3H,1-2H2,(H,10,13)(H,11,12).
What are the key properties of 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione?
8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione has a molecular weight of 182.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,3,4,6-tetrahydro-1,6-naphthyridine-2,7-dione is sourced from PubChem (CID 169245891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).