6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione

C12H12BrClN2O3 — CID 118598684

IUPAC6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
SMILESCC1(C)OCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C12H12BrClN2O3/c1-11(2)12(3-4-19-11)15-9(17)8-7(14)5-6(13)10(18)16(8)12/h5H,3-4H2,1-2H3,(H,15,17)
InChIKeyRCQISOKVMPGASS-UHFFFAOYSA-N
MW347.60 g/mol
LogP1.86
Rot. Bonds

About 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione

6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione (PubChem CID 118598684) has the molecular formula C12H12BrClN2O3 and a molecular weight of 347.60 g/mol. Its IUPAC name is 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
PubChem CID118598684
Molecular FormulaC12H12BrClN2O3
Molecular Weight347.60 g/mol
Exact Mass345.97
IUPAC Name6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
SMILESCC1(C)OCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C12H12BrClN2O3/c1-11(2)12(3-4-19-11)15-9(17)8-7(14)5-6(13)10(18)16(8)12/h5H,3-4H2,1-2H3,(H,15,17)
InChIKeyRCQISOKVMPGASS-UHFFFAOYSA-N
XLogP1.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione (CID 118598684) is 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione is CC1(C)OCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
The InChIKey is RCQISOKVMPGASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O3/c1-11(2)12(3-4-19-11)15-9(17)8-7(14)5-6(13)10(18)16(8)12/h5H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione?
6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione has a molecular weight of 347.60 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione is sourced from PubChem (CID 118598684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).