6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

C13H12BrClF2N2O2 — CID 139387212

IUPAC6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC(F)(F)CC2
InChIInChI=1S/C13H12BrClF2N2O2/c1-18-11(21)9-8(15)6-7(14)10(20)19(9)13(18)4-2-12(16,17)3-5-13/h6H,2-5H2,1H3
InChIKeyGWLNDJJGLOBGQQ-UHFFFAOYSA-N
MW381.60 g/mol
LogP3.21
Rot. Bonds

About 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 139387212) has the molecular formula C13H12BrClF2N2O2 and a molecular weight of 381.60 g/mol. Its IUPAC name is 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

Compound Name6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
PubChem CID139387212
Molecular FormulaC13H12BrClF2N2O2
Molecular Weight381.60 g/mol
Exact Mass379.97
IUPAC Name6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC(F)(F)CC2
InChIInChI=1S/C13H12BrClF2N2O2/c1-18-11(21)9-8(15)6-7(14)10(20)19(9)13(18)4-2-12(16,17)3-5-13/h6H,2-5H2,1H3
InChIKeyGWLNDJJGLOBGQQ-UHFFFAOYSA-N
XLogP3.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The IUPAC name of 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (CID 139387212) is 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.
What is the SMILES notation for 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The canonical SMILES for 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is CN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC(F)(F)CC2.
What is the InChIKey of 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The InChIKey is GWLNDJJGLOBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClF2N2O2/c1-18-11(21)9-8(15)6-7(14)10(20)19(9)13(18)4-2-12(16,17)3-5-13/h6H,2-5H2,1H3.
What are the key properties of 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 381.60 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-8'-chloro-4,4-difluoro-2'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 139387212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).