2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine

C13H18N2O5 — CID 66600765

IUPAC2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESCc1nc([N+](=O)[O-])ccc1OCCOC1CCCCO1
InChIInChI=1S/C13H18N2O5/c1-10-11(5-6-12(14-10)15(16)17)18-8-9-20-13-4-2-3-7-19-13/h5-6,13H,2-4,7-9H2,1H3
InChIKeyGJEOUGKQYPMNAF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine

2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine (PubChem CID 66600765) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
PubChem CID66600765
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESCc1nc([N+](=O)[O-])ccc1OCCOC1CCCCO1
InChIInChI=1S/C13H18N2O5/c1-10-11(5-6-12(14-10)15(16)17)18-8-9-20-13-4-2-3-7-19-13/h5-6,13H,2-4,7-9H2,1H3
InChIKeyGJEOUGKQYPMNAF-UHFFFAOYSA-N
XLogP2.22
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-4-[4-nitro-2-[2-(oxan-2-yloxy)ethoxy]phenyl]piperazine
CID 167514034
2-[4-(4-nitrophenoxy)butoxy]oxane
CID 86179087
2-nitro-4-[2-[(2S)-oxan-2-yl]oxyethoxy]aniline
CID 125143099
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
CID 99799558
2-(2-nitroethoxy)oxane
CID 3748656
2-(hydroxymethyl)-2-[4-(2-methyl-5-nitrophenyl)-6-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]propane-1,3-diol
CID 134609390
4,8-dimethyl-2-[4-(oxan-2-yloxy)butoxy]pyrido[2,3-d]pyrimidin-7-one
CID 21073385
(2S)-1-[2-fluoro-4-nitro-6-[2-(oxan-2-yloxy)ethoxy]phenyl]-2,4-dimethylpiperazine
CID 167514000
2-nitro-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129411763
2-nitro-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 90063267
2-(2-phenoxyethoxy)oxane
CID 11736193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine?
The IUPAC name of 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine (CID 66600765) is 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine.
What is the SMILES notation for 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine?
The canonical SMILES for 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine is Cc1nc([N+](=O)[O-])ccc1OCCOC1CCCCO1.
What is the InChIKey of 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine?
The InChIKey is GJEOUGKQYPMNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-10-11(5-6-12(14-10)15(16)17)18-8-9-20-13-4-2-3-7-19-13/h5-6,13H,2-4,7-9H2,1H3.
What are the key properties of 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine?
2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine has a molecular weight of 282.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-3-[2-(oxan-2-yloxy)ethoxy]pyridine is sourced from PubChem (CID 66600765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).