6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione

C13H13FN2O2 — CID 144753731

IUPAC6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CCC2(CC1)Cc1cc(F)cnc1NC2=O
InChIInChI=1S/C13H13FN2O2/c14-9-5-8-6-13(3-1-10(17)2-4-13)12(18)16-11(8)15-7-9/h5,7H,1-4,6H2,(H,15,16,18)
InChIKeyUFNNHGZNDXRWAQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.84
Rot. Bonds

About 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione

6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione (PubChem CID 144753731) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione.

Molecular Properties

Compound Name6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione
PubChem CID144753731
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione
SMILESO=C1CCC2(CC1)Cc1cc(F)cnc1NC2=O
InChIInChI=1S/C13H13FN2O2/c14-9-5-8-6-13(3-1-10(17)2-4-13)12(18)16-11(8)15-7-9/h5,7H,1-4,6H2,(H,15,16,18)
InChIKeyUFNNHGZNDXRWAQ-UHFFFAOYSA-N
XLogP1.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione?
The IUPAC name of 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione (CID 144753731) is 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione.
What is the SMILES notation for 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione?
The canonical SMILES for 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione is O=C1CCC2(CC1)Cc1cc(F)cnc1NC2=O.
What is the InChIKey of 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione?
The InChIKey is UFNNHGZNDXRWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-5-8-6-13(3-1-10(17)2-4-13)12(18)16-11(8)15-7-9/h5,7H,1-4,6H2,(H,15,16,18).
What are the key properties of 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione?
6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione has a molecular weight of 248.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione is sourced from PubChem (CID 144753731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).