6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C12H12BrFN2O2 — CID 164943148

IUPAC6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(F)cc(Br)c2=O
InChIInChI=1S/C12H12BrFN2O2/c13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12/h6H,1-5H2,(H,15,17)
InChIKeyKLWXBRDKYSSLHA-UHFFFAOYSA-N
MW315.14 g/mol
LogP2.11
Rot. Bonds

About 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 164943148) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID164943148
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCCCC2)n2c1c(F)cc(Br)c2=O
InChIInChI=1S/C12H12BrFN2O2/c13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12/h6H,1-5H2,(H,15,17)
InChIKeyKLWXBRDKYSSLHA-UHFFFAOYSA-N
XLogP2.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 164943148) is 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is O=C1NC2(CCCCC2)n2c1c(F)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is KLWXBRDKYSSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12/h6H,1-5H2,(H,15,17).
What are the key properties of 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 315.14 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 164943148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).