7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one

C8H4ClFN2O — CID 178188834

IUPAC7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C=NC(Cl)=C(F)C2=N1
InChIInChI=1S/C8H4ClFN2O/c9-8-6(10)7-4(3-11-8)1-2-5(13)12-7/h1-4H
InChIKeyIIDAPVNAOMIKII-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.60
Rot. Bonds

About 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one

7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one (PubChem CID 178188834) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one
PubChem CID178188834
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one
SMILESO=C1C=CC2C=NC(Cl)=C(F)C2=N1
InChIInChI=1S/C8H4ClFN2O/c9-8-6(10)7-4(3-11-8)1-2-5(13)12-7/h1-4H
InChIKeyIIDAPVNAOMIKII-UHFFFAOYSA-N
XLogP1.60
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4aH-1,6-naphthyridin-2-one
CID 73740809
7-fluoro-4aH-1,5-naphthyridin-2-one
CID 75247395
4aH-1,6-naphthyridin-2-one
CID 71302030
4aH-1,7-naphthyridin-2-one
CID 71628807
7-Chloro-1,6-naphthyridin-2(4aH)-one
CID 72218346
7-chloro-4aH-1,5-naphthyridin-2-one
CID 74675882
4-chloro-4aH-1,7-naphthyridin-2-one
CID 77624479

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one?
The IUPAC name of 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one (CID 178188834) is 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one?
The canonical SMILES for 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one is O=C1C=CC2C=NC(Cl)=C(F)C2=N1.
What is the InChIKey of 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one?
The InChIKey is IIDAPVNAOMIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-8-6(10)7-4(3-11-8)1-2-5(13)12-7/h1-4H.
What are the key properties of 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one?
7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one has a molecular weight of 198.58 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-4aH-1,6-naphthyridin-2-one is sourced from PubChem (CID 178188834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).