2-methoxy-5-(2-nitroethenyl)pyridine

C8H8N2O3 — CID 67230839

IUPAC2-methoxy-5-(2-nitroethenyl)pyridine
SMILESCOc1ccc(C=C[N+](=O)[O-])cn1
InChIInChI=1S/C8H8N2O3/c1-13-8-3-2-7(6-9-8)4-5-10(11)12/h2-6H,1H3
InChIKeyBGCZMKGDAYOJLO-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.34
Rot. Bonds3

About 2-methoxy-5-(2-nitroethenyl)pyridine

2-methoxy-5-(2-nitroethenyl)pyridine (PubChem CID 67230839) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-methoxy-5-(2-nitroethenyl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-(2-nitroethenyl)pyridine
PubChem CID67230839
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-methoxy-5-(2-nitroethenyl)pyridine
SMILESCOc1ccc(C=C[N+](=O)[O-])cn1
InChIInChI=1S/C8H8N2O3/c1-13-8-3-2-7(6-9-8)4-5-10(11)12/h2-6H,1H3
InChIKeyBGCZMKGDAYOJLO-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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'}

Analyze 2-methoxy-5-(2-nitroethenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-nitroethenyl)pyridine?
The IUPAC name of 2-methoxy-5-(2-nitroethenyl)pyridine (CID 67230839) is 2-methoxy-5-(2-nitroethenyl)pyridine.
What is the SMILES notation for 2-methoxy-5-(2-nitroethenyl)pyridine?
The canonical SMILES for 2-methoxy-5-(2-nitroethenyl)pyridine is COc1ccc(C=C[N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-5-(2-nitroethenyl)pyridine?
The InChIKey is BGCZMKGDAYOJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-13-8-3-2-7(6-9-8)4-5-10(11)12/h2-6H,1H3.
What are the key properties of 2-methoxy-5-(2-nitroethenyl)pyridine?
2-methoxy-5-(2-nitroethenyl)pyridine has a molecular weight of 180.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-nitroethenyl)pyridine is sourced from PubChem (CID 67230839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).