5-(cyclohexylidenemethyl)-2-nitropyridine

C12H14N2O2 — CID 165451675

IUPAC5-(cyclohexylidenemethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(C=C2CCCCC2)cn1
InChIInChI=1S/C12H14N2O2/c15-14(16)12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyDARZVJRCGIEKHT-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.34
Rot. Bonds2

About 5-(cyclohexylidenemethyl)-2-nitropyridine

5-(cyclohexylidenemethyl)-2-nitropyridine (PubChem CID 165451675) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(cyclohexylidenemethyl)-2-nitropyridine.

Molecular Properties

Compound Name5-(cyclohexylidenemethyl)-2-nitropyridine
PubChem CID165451675
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(cyclohexylidenemethyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(C=C2CCCCC2)cn1
InChIInChI=1S/C12H14N2O2/c15-14(16)12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyDARZVJRCGIEKHT-UHFFFAOYSA-N
XLogP3.34
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylidenemethyl)-2-nitropyridine?
The IUPAC name of 5-(cyclohexylidenemethyl)-2-nitropyridine (CID 165451675) is 5-(cyclohexylidenemethyl)-2-nitropyridine.
What is the SMILES notation for 5-(cyclohexylidenemethyl)-2-nitropyridine?
The canonical SMILES for 5-(cyclohexylidenemethyl)-2-nitropyridine is O=[N+]([O-])c1ccc(C=C2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylidenemethyl)-2-nitropyridine?
The InChIKey is DARZVJRCGIEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-14(16)12-7-6-11(9-13-12)8-10-4-2-1-3-5-10/h6-9H,1-5H2.
What are the key properties of 5-(cyclohexylidenemethyl)-2-nitropyridine?
5-(cyclohexylidenemethyl)-2-nitropyridine has a molecular weight of 218.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylidenemethyl)-2-nitropyridine is sourced from PubChem (CID 165451675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).