6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

C14H14BrF3N2O3 — CID 135259011

IUPAC6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C14H14BrF3N2O3/c1-7-6-8(15)11(22)20-9(7)10(21)19-13(20)4-2-12(23,3-5-13)14(16,17)18/h6,23H,2-5H2,1H3,(H,19,21)
InChIKeyCPONWKDTJVZFRN-UHFFFAOYSA-N
MW395.18 g/mol
LogP2.18
Rot. Bonds

About 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione

6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione (PubChem CID 135259011) has the molecular formula C14H14BrF3N2O3 and a molecular weight of 395.18 g/mol. Its IUPAC name is 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
PubChem CID135259011
Molecular FormulaC14H14BrF3N2O3
Molecular Weight395.18 g/mol
Exact Mass394.01
IUPAC Name6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C14H14BrF3N2O3/c1-7-6-8(15)11(22)20-9(7)10(21)19-13(20)4-2-12(23,3-5-13)14(16,17)18/h6,23H,2-5H2,1H3,(H,19,21)
InChIKeyCPONWKDTJVZFRN-UHFFFAOYSA-N
XLogP2.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.18
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The IUPAC name of 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione (CID 135259011) is 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
The InChIKey is CPONWKDTJVZFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O3/c1-7-6-8(15)11(22)20-9(7)10(21)19-13(20)4-2-12(23,3-5-13)14(16,17)18/h6,23H,2-5H2,1H3,(H,19,21).
What are the key properties of 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione?
6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione has a molecular weight of 395.18 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-hydroxy-8-methyl-1'-(trifluoromethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-cyclohexane]-1,5-dione is sourced from PubChem (CID 135259011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).