3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

C8H9FN2O — CID 89388831

IUPAC3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1F)CNCC2
InChIInChI=1S/C8H9FN2O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyXWUIBVALZLMCPQ-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.16
Rot. Bonds

About 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (PubChem CID 89388831) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
PubChem CID89388831
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
SMILESO=c1[nH]c2c(cc1F)CNCC2
InChIInChI=1S/C8H9FN2O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12)
InChIKeyXWUIBVALZLMCPQ-UHFFFAOYSA-N
XLogP0.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one (CID 89388831) is 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is O=c1[nH]c2c(cc1F)CNCC2.
What is the InChIKey of 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
The InChIKey is XWUIBVALZLMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-6-3-5-4-10-2-1-7(5)11-8(6)12/h3,10H,1-2,4H2,(H,11,12).
What are the key properties of 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one?
3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one has a molecular weight of 168.17 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 89388831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).