3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine

C11H14N2O4 — CID 170310369

IUPAC3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine
SMILESCCC(=Cc1nc(OC)ccc1OC)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-4-8(13(14)15)7-9-10(16-2)5-6-11(12-9)17-3/h5-7H,4H2,1-3H3
InChIKeyKTRYWIZDFXTXEI-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.13
Rot. Bonds5

About 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine

3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine (PubChem CID 170310369) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine.

Molecular Properties

Compound Name3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine
PubChem CID170310369
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine
SMILESCCC(=Cc1nc(OC)ccc1OC)[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-4-8(13(14)15)7-9-10(16-2)5-6-11(12-9)17-3/h5-7H,4H2,1-3H3
InChIKeyKTRYWIZDFXTXEI-UHFFFAOYSA-N
XLogP2.13
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
1-methoxy-2-nitro-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 101110358
2-methoxy-4-[(E)-2-nitrobut-1-enyl]-1-prop-2-enoxybenzene
CID 55016454
2-bromo-6-methoxy-4-(2-nitrobut-1-enyl)phenol
CID 868570
1-bromo-2,5-dimethoxy-4-(2-nitrobut-1-enyl)benzene
CID 174223066
1-ethoxy-2-methoxy-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016783
4-methoxy-1-methyl-2-[(E)-2-nitrobut-1-enyl]benzene
CID 169246544
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
(Z)-6-(3,4-dimethoxyphenyl)-5-nitrohex-5-en-2-one
CID 101395050
2-methoxy-5-[(Z)-3-methyl-2-nitrobut-1-enyl]pyridine
CID 114938188
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
sodium 4-[2,3-dichloro-4-[(E)-2-nitrobut-1-enyl]phenoxy]butanoate
CID 86742221

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine?
The IUPAC name of 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine (CID 170310369) is 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine.
What is the SMILES notation for 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine?
The canonical SMILES for 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine is CCC(=Cc1nc(OC)ccc1OC)[N+](=O)[O-].
What is the InChIKey of 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine?
The InChIKey is KTRYWIZDFXTXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-8(13(14)15)7-9-10(16-2)5-6-11(12-9)17-3/h5-7H,4H2,1-3H3.
What are the key properties of 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine?
3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine has a molecular weight of 238.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-(2-nitrobut-1-enyl)pyridine is sourced from PubChem (CID 170310369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).