5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C10H11BrN2 — CID 123991357

IUPAC5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESBrc1ccc2c(c1)NC1CCN2C1
InChIInChI=1S/C10H11BrN2/c11-7-1-2-10-9(5-7)12-8-3-4-13(10)6-8/h1-2,5,8,12H,3-4,6H2
InChIKeyDRPHHOQYXBGIFB-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.45
Rot. Bonds

About 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 123991357) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID123991357
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESBrc1ccc2c(c1)NC1CCN2C1
InChIInChI=1S/C10H11BrN2/c11-7-1-2-10-9(5-7)12-8-3-4-13(10)6-8/h1-2,5,8,12H,3-4,6H2
InChIKeyDRPHHOQYXBGIFB-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzonitrile
CID 114905705
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
4-bromo-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)benzamide
CID 114905706
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673
(9S)-4-methyl-1,5,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 118124617
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
1-(2,4-dibromophenyl)piperidin-4-amine
CID 61474438
(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 123991357) is 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Brc1ccc2c(c1)NC1CCN2C1.
What is the InChIKey of 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is DRPHHOQYXBGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-7-1-2-10-9(5-7)12-8-3-4-13(10)6-8/h1-2,5,8,12H,3-4,6H2.
What are the key properties of 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 239.12 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,8-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 123991357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).