6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

C15H13BrClN — CID 142002146

IUPAC6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESClc1ccc2c(c1)CCCc1cc(Br)cnc1C2
InChIInChI=1S/C15H13BrClN/c16-13-6-12-3-1-2-10-7-14(17)5-4-11(10)8-15(12)18-9-13/h4-7,9H,1-3,8H2
InChIKeyRMMHWCFODZUZDP-UHFFFAOYSA-N
MW322.63 g/mol
LogP4.58
Rot. Bonds

About 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (PubChem CID 142002146) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.

Molecular Properties

Compound Name6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
PubChem CID142002146
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESClc1ccc2c(c1)CCCc1cc(Br)cnc1C2
InChIInChI=1S/C15H13BrClN/c16-13-6-12-3-1-2-10-7-14(17)5-4-11(10)8-15(12)18-9-13/h4-7,9H,1-3,8H2
InChIKeyRMMHWCFODZUZDP-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The IUPAC name of 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (CID 142002146) is 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.
What is the SMILES notation for 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The canonical SMILES for 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is Clc1ccc2c(c1)CCCc1cc(Br)cnc1C2.
What is the InChIKey of 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The InChIKey is RMMHWCFODZUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-6-12-3-1-2-10-7-14(17)5-4-11(10)8-15(12)18-9-13/h4-7,9H,1-3,8H2.
What are the key properties of 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene has a molecular weight of 322.63 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is sourced from PubChem (CID 142002146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).