6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C10H7BrClF3N2O2 — CID 118598700

IUPAC6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C10H7BrClF3N2O2/c1-9(3-10(13,14)15)16-7(18)6-5(12)2-4(11)8(19)17(6)9/h2H,3H2,1H3,(H,16,18)
InChIKeyOJWRQHQQFNFMRK-UHFFFAOYSA-N
MW359.53 g/mol
LogP2.63
Rot. Bonds1

About 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598700) has the molecular formula C10H7BrClF3N2O2 and a molecular weight of 359.53 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598700
Molecular FormulaC10H7BrClF3N2O2
Molecular Weight359.53 g/mol
Exact Mass357.93
IUPAC Name6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C10H7BrClF3N2O2/c1-9(3-10(13,14)15)16-7(18)6-5(12)2-4(11)8(19)17(6)9/h2H,3H2,1H3,(H,16,18)
InChIKeyOJWRQHQQFNFMRK-UHFFFAOYSA-N
XLogP2.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Bromo-8-chloro-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118598617
6-Bromo-8-fluoro-3,3-dimethyl-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118598655
6-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598744
6-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598768
6'-Bromo-8'-chloro-4,4-difluoro-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 118598773
6-bromo-8-chloro-3-methyl-3-(trifluoromethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598824
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
6-bromo-8-chloro-2'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598982
6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599036
6-bromo-8-chloro-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118599108
6-amino-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 134381432
6-amino-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 134381757

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598700) is 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is OJWRQHQQFNFMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF3N2O2/c1-9(3-10(13,14)15)16-7(18)6-5(12)2-4(11)8(19)17(6)9/h2H,3H2,1H3,(H,16,18).
What are the key properties of 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 359.53 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).