2-azidopyrene

C16H9N3 — CID 14121488

IUPAC2-azidopyrene
SMILES[N-]=[N+]=Nc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H9N3/c17-19-18-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
InChIKeyMTJKLQLBMIKELJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP5.53
Rot. Bonds1

About 2-azidopyrene

2-azidopyrene (PubChem CID 14121488) has the molecular formula C16H9N3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-azidopyrene.

Molecular Properties

Compound Name2-azidopyrene
PubChem CID14121488
Molecular FormulaC16H9N3
Molecular Weight243.27 g/mol
Exact Mass243.08
IUPAC Name2-azidopyrene
SMILES[N-]=[N+]=Nc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H9N3/c17-19-18-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H
InChIKeyMTJKLQLBMIKELJ-UHFFFAOYSA-N
XLogP5.53
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.27
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-azidopyrene?
The IUPAC name of 2-azidopyrene (CID 14121488) is 2-azidopyrene.
What is the SMILES notation for 2-azidopyrene?
The canonical SMILES for 2-azidopyrene is [N-]=[N+]=Nc1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of 2-azidopyrene?
The InChIKey is MTJKLQLBMIKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3/c17-19-18-14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H.
What are the key properties of 2-azidopyrene?
2-azidopyrene has a molecular weight of 243.27 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopyrene is sourced from PubChem (CID 14121488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).