12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C9H7BrN2O — CID 176836956

IUPAC12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESBrc1cnc2ccc3c(n12)OCC3
InChIInChI=1S/C9H7BrN2O/c10-7-5-11-8-2-1-6-3-4-13-9(6)12(7)8/h1-2,5H,3-4H2
InChIKeyMRDJJPWGZOYCON-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.03
Rot. Bonds

About 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 176836956) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID176836956
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESBrc1cnc2ccc3c(n12)OCC3
InChIInChI=1S/C9H7BrN2O/c10-7-5-11-8-2-1-6-3-4-13-9(6)12(7)8/h1-2,5H,3-4H2
InChIKeyMRDJJPWGZOYCON-UHFFFAOYSA-N
XLogP2.03
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Related Compounds

3-bromo-5-fluoroimidazo[1,2-a]pyridine
CID 86767811
1-bromoimidazo[1,2-a]quinolin-9-ol
CID 115049066
3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazine
CID 141418101
3-bromo-6-methylimidazo[1,2-a]pyridine
CID 5260646
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
4-bromo-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine
CID 105371643
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
6-bromo-5-chloroimidazo[1,2-a]pyridin-3-amine
CID 130065565
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanamine
CID 130047301
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727

Frequently Asked Questions

What is the IUPAC name of 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 176836956) is 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Brc1cnc2ccc3c(n12)OCC3.
What is the InChIKey of 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is MRDJJPWGZOYCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-5-11-8-2-1-6-3-4-13-9(6)12(7)8/h1-2,5H,3-4H2.
What are the key properties of 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 239.07 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-3-oxa-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 176836956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).