6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C12H13BrN2O3 — CID 118598873

IUPAC6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H13BrN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16)
InChIKeyMXRRGWKLBQVNLP-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.13
Rot. Bonds

About 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 118598873) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID118598873
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H13BrN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16)
InChIKeyMXRRGWKLBQVNLP-UHFFFAOYSA-N
XLogP1.13
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride
CID 118598681
6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598682
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
6'-Bromo-8'-methyl-1'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'(2'H)-dione
CID 118598749
(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
CID 118599026
6-Bromo-3,3,8-trimethyl-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
CID 118604426
6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118613740
8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 150104789
6-bromo-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;ethane
CID 162431077
6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 166877665
(3Z)-3-[(E)-4-bromopent-3-en-2-ylidene]-2-oxo-8-oxa-1,4-diazaspiro[4.5]decane-4-carbaldehyde
CID 166877762
2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 175793055

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 118598873) is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is MXRRGWKLBQVNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16).
What are the key properties of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 313.15 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 118598873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).