4-ethenyl-2-methoxy-3-nitropyridine

C8H8N2O3 — CID 163252192

IUPAC4-ethenyl-2-methoxy-3-nitropyridine
SMILESC=Cc1ccnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-3-6-4-5-9-8(13-2)7(6)10(11)12/h3-5H,1H2,2H3
InChIKeyXRWFTZXGRHJTKH-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.64
Rot. Bonds3

About 4-ethenyl-2-methoxy-3-nitropyridine

4-ethenyl-2-methoxy-3-nitropyridine (PubChem CID 163252192) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-ethenyl-2-methoxy-3-nitropyridine.

Molecular Properties

Compound Name4-ethenyl-2-methoxy-3-nitropyridine
PubChem CID163252192
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-ethenyl-2-methoxy-3-nitropyridine
SMILESC=Cc1ccnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O3/c1-3-6-4-5-9-8(13-2)7(6)10(11)12/h3-5H,1H2,2H3
InChIKeyXRWFTZXGRHJTKH-UHFFFAOYSA-N
XLogP1.64
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methoxy-3-nitropyridine?
The IUPAC name of 4-ethenyl-2-methoxy-3-nitropyridine (CID 163252192) is 4-ethenyl-2-methoxy-3-nitropyridine.
What is the SMILES notation for 4-ethenyl-2-methoxy-3-nitropyridine?
The canonical SMILES for 4-ethenyl-2-methoxy-3-nitropyridine is C=Cc1ccnc(OC)c1[N+](=O)[O-].
What is the InChIKey of 4-ethenyl-2-methoxy-3-nitropyridine?
The InChIKey is XRWFTZXGRHJTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-3-6-4-5-9-8(13-2)7(6)10(11)12/h3-5H,1H2,2H3.
What are the key properties of 4-ethenyl-2-methoxy-3-nitropyridine?
4-ethenyl-2-methoxy-3-nitropyridine has a molecular weight of 180.16 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methoxy-3-nitropyridine is sourced from PubChem (CID 163252192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).