2-nitronaphthalene

C10H7NO2 — CID 11392

IUPAC2-nitronaphthalene
SMILESO=[N+]([O-])c1ccc2ccccc2c1
InChIInChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyZJYJZEAJZXVAMF-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.75
Rot. Bonds1

About 2-nitronaphthalene

2-nitronaphthalene (PubChem CID 11392) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-nitronaphthalene.

Molecular Properties

Compound Name2-nitronaphthalene
PubChem CID11392
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name2-nitronaphthalene
SMILESO=[N+]([O-])c1ccc2ccccc2c1
InChIInChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyZJYJZEAJZXVAMF-UHFFFAOYSA-N
XLogP2.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitronaphthalene?
The IUPAC name of 2-nitronaphthalene (CID 11392) is 2-nitronaphthalene.
What is the SMILES notation for 2-nitronaphthalene?
The canonical SMILES for 2-nitronaphthalene is O=[N+]([O-])c1ccc2ccccc2c1.
What is the InChIKey of 2-nitronaphthalene?
The InChIKey is ZJYJZEAJZXVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 2-nitronaphthalene?
2-nitronaphthalene has a molecular weight of 173.17 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitronaphthalene is sourced from PubChem (CID 11392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).