6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C14H10Br2ClN — CID 10157048

IUPAC6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1cc(Br)c2c(c1)CCc1cc(Br)cnc1C2
InChIInChI=1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2
InChIKeyMLUVTRZDSIHGAD-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.95
Rot. Bonds

About 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 10157048) has the molecular formula C14H10Br2ClN and a molecular weight of 387.50 g/mol. Its IUPAC name is 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID10157048
Molecular FormulaC14H10Br2ClN
Molecular Weight387.50 g/mol
Exact Mass384.89
IUPAC Name6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1cc(Br)c2c(c1)CCc1cc(Br)cnc1C2
InChIInChI=1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2
InChIKeyMLUVTRZDSIHGAD-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 10157048) is 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Clc1cc(Br)c2c(c1)CCc1cc(Br)cnc1C2.
What is the InChIKey of 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is MLUVTRZDSIHGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN/c15-10-3-9-2-1-8-4-11(17)5-13(16)12(8)6-14(9)18-7-10/h3-5,7H,1-2,6H2.
What are the key properties of 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 387.50 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 10157048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).