2-nitroanthracene

C14H9NO2 — CID 19168

IUPAC2-nitroanthracene
SMILESO=[N+]([O-])c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H9NO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyNZWGQBVOKHEKLD-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.90
Rot. Bonds1

About 2-nitroanthracene

2-nitroanthracene (PubChem CID 19168) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-nitroanthracene.

Molecular Properties

Compound Name2-nitroanthracene
PubChem CID19168
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-nitroanthracene
SMILESO=[N+]([O-])c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H9NO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyNZWGQBVOKHEKLD-UHFFFAOYSA-N
XLogP3.90
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.90
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitroanthracene?
The IUPAC name of 2-nitroanthracene (CID 19168) is 2-nitroanthracene.
What is the SMILES notation for 2-nitroanthracene?
The canonical SMILES for 2-nitroanthracene is O=[N+]([O-])c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-nitroanthracene?
The InChIKey is NZWGQBVOKHEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H.
What are the key properties of 2-nitroanthracene?
2-nitroanthracene has a molecular weight of 223.23 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroanthracene is sourced from PubChem (CID 19168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).