2-hexyl-4-nitro-6-nitrosopyridine

C11H15N3O3 — CID 88841821

IUPAC2-hexyl-4-nitro-6-nitrosopyridine
SMILESCCCCCCc1cc([N+](=O)[O-])cc(N=O)n1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-5-6-9-7-10(14(16)17)8-11(12-9)13-15/h7-8H,2-6H2,1H3
InChIKeyXYMOTBJABAQJSR-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.51
Rot. Bonds7

About 2-hexyl-4-nitro-6-nitrosopyridine

2-hexyl-4-nitro-6-nitrosopyridine (PubChem CID 88841821) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-hexyl-4-nitro-6-nitrosopyridine.

Molecular Properties

Compound Name2-hexyl-4-nitro-6-nitrosopyridine
PubChem CID88841821
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-hexyl-4-nitro-6-nitrosopyridine
SMILESCCCCCCc1cc([N+](=O)[O-])cc(N=O)n1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-5-6-9-7-10(14(16)17)8-11(12-9)13-15/h7-8H,2-6H2,1H3
InChIKeyXYMOTBJABAQJSR-UHFFFAOYSA-N
XLogP3.51
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexyl-4-nitro-6-nitrosopyridine?
The IUPAC name of 2-hexyl-4-nitro-6-nitrosopyridine (CID 88841821) is 2-hexyl-4-nitro-6-nitrosopyridine.
What is the SMILES notation for 2-hexyl-4-nitro-6-nitrosopyridine?
The canonical SMILES for 2-hexyl-4-nitro-6-nitrosopyridine is CCCCCCc1cc([N+](=O)[O-])cc(N=O)n1.
What is the InChIKey of 2-hexyl-4-nitro-6-nitrosopyridine?
The InChIKey is XYMOTBJABAQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-4-5-6-9-7-10(14(16)17)8-11(12-9)13-15/h7-8H,2-6H2,1H3.
What are the key properties of 2-hexyl-4-nitro-6-nitrosopyridine?
2-hexyl-4-nitro-6-nitrosopyridine has a molecular weight of 237.26 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-nitro-6-nitrosopyridine is sourced from PubChem (CID 88841821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).