2-nitrophenanthridine

C13H8N2O2 — CID 15065495

IUPAC2-nitrophenanthridine
SMILESO=[N+]([O-])c1ccc2ncc3ccccc3c2c1
InChIInChI=1S/C13H8N2O2/c16-15(17)10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13/h1-8H
InChIKeyVNGBWZWREQUEMN-UHFFFAOYSA-N
MW224.22 g/mol
LogP3.30
Rot. Bonds1

About 2-nitrophenanthridine

2-nitrophenanthridine (PubChem CID 15065495) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-nitrophenanthridine.

Molecular Properties

Compound Name2-nitrophenanthridine
PubChem CID15065495
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name2-nitrophenanthridine
SMILESO=[N+]([O-])c1ccc2ncc3ccccc3c2c1
InChIInChI=1S/C13H8N2O2/c16-15(17)10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13/h1-8H
InChIKeyVNGBWZWREQUEMN-UHFFFAOYSA-N
XLogP3.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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_3', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 141329135
3-iodo-6-nitro-4-phenylquinoline
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phenanthridine
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1,2-dinitrophenanthridine
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phenanthridine;platinum(2+)
CID 23616726
4-(3-nitrophenanthridin-9-yl)aniline
CID 154205991
8-nitrophenanthridin-6-amine
CID 90682315
2-(2-chloro-4-nitrophenyl)quinoxaline
CID 134092942
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
5-methyl-3-nitroquinoline
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1-methyl-4-nitrobenzene;3-methylphenanthrene
CID 91179240
9,32-dimethyl-16,25-dinitro-36,38-dioxa-3,4,11,20,21,30-hexazaheptacyclo[29.3.1.12,5.16,10.119,22.013,18.023,28]octatriaconta-1(35),2,4,6(37),7,9,11,13(18),14,16,19,21,23(28),24,26,29,31,33-octadecaene
CID 11114739

Frequently Asked Questions

What is the IUPAC name of 2-nitrophenanthridine?
The IUPAC name of 2-nitrophenanthridine (CID 15065495) is 2-nitrophenanthridine.
What is the SMILES notation for 2-nitrophenanthridine?
The canonical SMILES for 2-nitrophenanthridine is O=[N+]([O-])c1ccc2ncc3ccccc3c2c1.
What is the InChIKey of 2-nitrophenanthridine?
The InChIKey is VNGBWZWREQUEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-15(17)10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-14-13/h1-8H.
What are the key properties of 2-nitrophenanthridine?
2-nitrophenanthridine has a molecular weight of 224.22 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrophenanthridine is sourced from PubChem (CID 15065495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).