azanylidyneazanium;1-nitronaphthalene;chloride

C10H8ClN3O2 — CID 23454944

IUPACazanylidyneazanium;1-nitronaphthalene;chloride
SMILESN#[NH+].O=[N+]([O-])c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C10H7NO2.ClH.N2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;1-2/h1-7H;1H;
InChIKeyANLKRQAOOKYGOB-UHFFFAOYSA-N
MW237.65 g/mol
LogP-1.97
Rot. Bonds1

About azanylidyneazanium;1-nitronaphthalene;chloride

azanylidyneazanium;1-nitronaphthalene;chloride (PubChem CID 23454944) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is azanylidyneazanium;1-nitronaphthalene;chloride.

Molecular Properties

Compound Nameazanylidyneazanium;1-nitronaphthalene;chloride
PubChem CID23454944
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Nameazanylidyneazanium;1-nitronaphthalene;chloride
SMILESN#[NH+].O=[N+]([O-])c1cccc2ccccc12.[Cl-]
InChIInChI=1S/C10H7NO2.ClH.N2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;1-2/h1-7H;1H;
InChIKeyANLKRQAOOKYGOB-UHFFFAOYSA-N
XLogP-1.97
TPSA90.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formonitrile;1-nitronaphthalene
CID 174387830
1-nitronaphthalene;hydrate
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1,1'-biphenyl;1-nitronaphthalene
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4-nitrophenanthrene
CID 139058403
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
8-nitronaphthalene-2-carbonitrile
CID 12060830
8-nitroisoquinolin-2-ium
CID 21436749
1-methoxy-2-nitronaphthalene
CID 10899709
1,5,9-trinitrotriphenylene
CID 86227277
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
(2-azidophenyl)-phenyldiazene;1-nitronaphthalene
CID 159930527

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;1-nitronaphthalene;chloride?
The IUPAC name of azanylidyneazanium;1-nitronaphthalene;chloride (CID 23454944) is azanylidyneazanium;1-nitronaphthalene;chloride.
What is the SMILES notation for azanylidyneazanium;1-nitronaphthalene;chloride?
The canonical SMILES for azanylidyneazanium;1-nitronaphthalene;chloride is N#[NH+].O=[N+]([O-])c1cccc2ccccc12.[Cl-].
What is the InChIKey of azanylidyneazanium;1-nitronaphthalene;chloride?
The InChIKey is ANLKRQAOOKYGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.ClH.N2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;;1-2/h1-7H;1H;.
What are the key properties of azanylidyneazanium;1-nitronaphthalene;chloride?
azanylidyneazanium;1-nitronaphthalene;chloride has a molecular weight of 237.65 g/mol, XLogP of -1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;1-nitronaphthalene;chloride is sourced from PubChem (CID 23454944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).