3-decoxy-2-nitropyridine

C15H24N2O3 — CID 152620226

IUPAC3-decoxy-2-nitropyridine
SMILESCCCCCCCCCCOc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-13-20-14-11-10-12-16-15(14)17(18)19/h10-12H,2-9,13H2,1H3
InChIKeyZBIZTQMZCNLCQT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.51
Rot. Bonds11

About 3-decoxy-2-nitropyridine

3-decoxy-2-nitropyridine (PubChem CID 152620226) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-decoxy-2-nitropyridine.

Molecular Properties

Compound Name3-decoxy-2-nitropyridine
PubChem CID152620226
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-decoxy-2-nitropyridine
SMILESCCCCCCCCCCOc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-13-20-14-11-10-12-16-15(14)17(18)19/h10-12H,2-9,13H2,1H3
InChIKeyZBIZTQMZCNLCQT-UHFFFAOYSA-N
XLogP4.51
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.51
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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Related Compounds

2-nitro-1,3-dioctoxybenzene
CID 537243
3-methoxy-2-nitropyridine
CID 556063
2,3-didecoxypyridine
CID 151922374
3-(2,2-diethoxyethoxy)-2-nitropyridine
CID 63628584
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
1,2-dihexadecoxy-4,5-dinitrobenzene
CID 56641644
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
CID 66368057
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-2-nitropyridine
CID 90205884
3-hexoxy-N-methyl-2-nitroaniline
CID 80860852
3-[(2-nitro-3-pyridinyl)oxy]-2-propoxycyclobutan-1-one
CID 107942268

Frequently Asked Questions

What is the IUPAC name of 3-decoxy-2-nitropyridine?
The IUPAC name of 3-decoxy-2-nitropyridine (CID 152620226) is 3-decoxy-2-nitropyridine.
What is the SMILES notation for 3-decoxy-2-nitropyridine?
The canonical SMILES for 3-decoxy-2-nitropyridine is CCCCCCCCCCOc1cccnc1[N+](=O)[O-].
What is the InChIKey of 3-decoxy-2-nitropyridine?
The InChIKey is ZBIZTQMZCNLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-5-6-7-8-9-13-20-14-11-10-12-16-15(14)17(18)19/h10-12H,2-9,13H2,1H3.
What are the key properties of 3-decoxy-2-nitropyridine?
3-decoxy-2-nitropyridine has a molecular weight of 280.37 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-2-nitropyridine is sourced from PubChem (CID 152620226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).