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

C12H13BrN2O3 — CID 175793055

IUPAC2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCOC(Br)C1
InChIInChI=1S/C12H13BrN2O3/c1-7-2-3-9(16)15-10(7)11(17)14-12(15)4-5-18-8(13)6-12/h2-3,8H,4-6H2,1H3,(H,14,17)
InChIKeyNDLGONFGNHTJQR-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.08
Rot. Bonds

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

2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 175793055) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID175793055
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1ccc(=O)n2c1C(=O)NC21CCOC(Br)C1
InChIInChI=1S/C12H13BrN2O3/c1-7-2-3-9(16)15-10(7)11(17)14-12(15)4-5-18-8(13)6-12/h2-3,8H,4-6H2,1H3,(H,14,17)
InChIKeyNDLGONFGNHTJQR-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598873
(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
CID 118599026
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-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

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 175793055) is 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1ccc(=O)n2c1C(=O)NC21CCOC(Br)C1.
What is the InChIKey of 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is NDLGONFGNHTJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-7-2-3-9(16)15-10(7)11(17)14-12(15)4-5-18-8(13)6-12/h2-3,8H,4-6H2,1H3,(H,14,17).
What are the key properties of 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
2'-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 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 175793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).