2-decan-5-yl-5-nitropyridine

C15H24N2O2 — CID 129070870

IUPAC2-decan-5-yl-5-nitropyridine
SMILESCCCCCC(CCCC)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H24N2O2/c1-3-5-7-9-13(8-6-4-2)15-11-10-14(12-16-15)17(18)19/h10-13H,3-9H2,1-2H3
InChIKeyWLNHQJPJMQFVGZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.84
Rot. Bonds9

About 2-decan-5-yl-5-nitropyridine

2-decan-5-yl-5-nitropyridine (PubChem CID 129070870) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-decan-5-yl-5-nitropyridine.

Molecular Properties

Compound Name2-decan-5-yl-5-nitropyridine
PubChem CID129070870
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-decan-5-yl-5-nitropyridine
SMILESCCCCCC(CCCC)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H24N2O2/c1-3-5-7-9-13(8-6-4-2)15-11-10-14(12-16-15)17(18)19/h10-13H,3-9H2,1-2H3
InChIKeyWLNHQJPJMQFVGZ-UHFFFAOYSA-N
XLogP4.84
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-(4-nitrophenyl)hexan-1-amine
CID 139623106
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
1-hexan-2-yl-4-nitrobenzene
CID 57119541
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501
2-(4-nitrophenyl)heptanoic acid
CID 18177956
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360
1-(5-nitro-2-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874083
5-nitro-2-pentan-2-yloxypyridine
CID 143371031

Frequently Asked Questions

What is the IUPAC name of 2-decan-5-yl-5-nitropyridine?
The IUPAC name of 2-decan-5-yl-5-nitropyridine (CID 129070870) is 2-decan-5-yl-5-nitropyridine.
What is the SMILES notation for 2-decan-5-yl-5-nitropyridine?
The canonical SMILES for 2-decan-5-yl-5-nitropyridine is CCCCCC(CCCC)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-decan-5-yl-5-nitropyridine?
The InChIKey is WLNHQJPJMQFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-7-9-13(8-6-4-2)15-11-10-14(12-16-15)17(18)19/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-decan-5-yl-5-nitropyridine?
2-decan-5-yl-5-nitropyridine has a molecular weight of 264.37 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-5-yl-5-nitropyridine is sourced from PubChem (CID 129070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).