6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene

C13H15ClN2 — CID 10082788

IUPAC6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
SMILESClc1cc2c(cn1)C1C3CCC(N3)C1CC2
InChIInChI=1S/C13H15ClN2/c14-12-5-7-1-2-8-10-3-4-11(16-10)13(8)9(7)6-15-12/h5-6,8,10-11,13,16H,1-4H2
InChIKeyHYHQVGSPVWWXJX-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.52
Rot. Bonds

About 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene

6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene (PubChem CID 10082788) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene.

Molecular Properties

Compound Name6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
PubChem CID10082788
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene
SMILESClc1cc2c(cn1)C1C3CCC(N3)C1CC2
InChIInChI=1S/C13H15ClN2/c14-12-5-7-1-2-8-10-3-4-11(16-10)13(8)9(7)6-15-12/h5-6,8,10-11,13,16H,1-4H2
InChIKeyHYHQVGSPVWWXJX-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The IUPAC name of 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene (CID 10082788) is 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene.
What is the SMILES notation for 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The canonical SMILES for 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene is Clc1cc2c(cn1)C1C3CCC(N3)C1CC2.
What is the InChIKey of 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
The InChIKey is HYHQVGSPVWWXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-12-5-7-1-2-8-10-3-4-11(16-10)13(8)9(7)6-15-12/h5-6,8,10-11,13,16H,1-4H2.
What are the key properties of 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene?
6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene has a molecular weight of 234.73 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,15-diazatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7-triene is sourced from PubChem (CID 10082788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).