4-azidonaphthalene-1,8-dicarbonitrile

C12H5N5 — CID 101166166

IUPAC4-azidonaphthalene-1,8-dicarbonitrile
SMILESN#Cc1cccc2c(N=[N+]=[N-])ccc(C#N)c12
InChIInChI=1S/C12H5N5/c13-6-8-2-1-3-10-11(16-17-15)5-4-9(7-14)12(8)10/h1-5H
InChIKeyDYBGQXMUDKIUIN-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.52
Rot. Bonds1

About 4-azidonaphthalene-1,8-dicarbonitrile

4-azidonaphthalene-1,8-dicarbonitrile (PubChem CID 101166166) has the molecular formula C12H5N5 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-azidonaphthalene-1,8-dicarbonitrile.

Molecular Properties

Compound Name4-azidonaphthalene-1,8-dicarbonitrile
PubChem CID101166166
Molecular FormulaC12H5N5
Molecular Weight219.21 g/mol
Exact Mass219.05
IUPAC Name4-azidonaphthalene-1,8-dicarbonitrile
SMILESN#Cc1cccc2c(N=[N+]=[N-])ccc(C#N)c12
InChIInChI=1S/C12H5N5/c13-6-8-2-1-3-10-11(16-17-15)5-4-9(7-14)12(8)10/h1-5H
InChIKeyDYBGQXMUDKIUIN-UHFFFAOYSA-N
XLogP3.52
TPSA96.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azidonaphthalene-1,8-dicarbonitrile?
The IUPAC name of 4-azidonaphthalene-1,8-dicarbonitrile (CID 101166166) is 4-azidonaphthalene-1,8-dicarbonitrile.
What is the SMILES notation for 4-azidonaphthalene-1,8-dicarbonitrile?
The canonical SMILES for 4-azidonaphthalene-1,8-dicarbonitrile is N#Cc1cccc2c(N=[N+]=[N-])ccc(C#N)c12.
What is the InChIKey of 4-azidonaphthalene-1,8-dicarbonitrile?
The InChIKey is DYBGQXMUDKIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5N5/c13-6-8-2-1-3-10-11(16-17-15)5-4-9(7-14)12(8)10/h1-5H.
What are the key properties of 4-azidonaphthalene-1,8-dicarbonitrile?
4-azidonaphthalene-1,8-dicarbonitrile has a molecular weight of 219.21 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidonaphthalene-1,8-dicarbonitrile is sourced from PubChem (CID 101166166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).