2-(3-nitrododecoxy)pyridine

C17H28N2O3 — CID 174619409

IUPAC2-(3-nitrododecoxy)pyridine
SMILESCCCCCCCCCC(CCOc1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C17H28N2O3/c1-2-3-4-5-6-7-8-11-16(19(20)21)13-15-22-17-12-9-10-14-18-17/h9-10,12,14,16H,2-8,11,13,15H2,1H3
InChIKeyWFOUVPZBVCFLBG-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.64
Rot. Bonds13

About 2-(3-nitrododecoxy)pyridine

2-(3-nitrododecoxy)pyridine (PubChem CID 174619409) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(3-nitrododecoxy)pyridine.

Molecular Properties

Compound Name2-(3-nitrododecoxy)pyridine
PubChem CID174619409
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-(3-nitrododecoxy)pyridine
SMILESCCCCCCCCCC(CCOc1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C17H28N2O3/c1-2-3-4-5-6-7-8-11-16(19(20)21)13-15-22-17-12-9-10-14-18-17/h9-10,12,14,16H,2-8,11,13,15H2,1H3
InChIKeyWFOUVPZBVCFLBG-UHFFFAOYSA-N
XLogP4.64
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-nitrododecoxy)pyridine?
The IUPAC name of 2-(3-nitrododecoxy)pyridine (CID 174619409) is 2-(3-nitrododecoxy)pyridine.
What is the SMILES notation for 2-(3-nitrododecoxy)pyridine?
The canonical SMILES for 2-(3-nitrododecoxy)pyridine is CCCCCCCCCC(CCOc1ccccn1)[N+](=O)[O-].
What is the InChIKey of 2-(3-nitrododecoxy)pyridine?
The InChIKey is WFOUVPZBVCFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-2-3-4-5-6-7-8-11-16(19(20)21)13-15-22-17-12-9-10-14-18-17/h9-10,12,14,16H,2-8,11,13,15H2,1H3.
What are the key properties of 2-(3-nitrododecoxy)pyridine?
2-(3-nitrododecoxy)pyridine has a molecular weight of 308.42 g/mol, XLogP of 4.64, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrododecoxy)pyridine is sourced from PubChem (CID 174619409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).