6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine

C13H14N2O3 — CID 13029619

IUPAC6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine
SMILESCCc1cc(-c2ccc([N+](=O)[O-])o2)c(C)c(C)n1
InChIInChI=1S/C13H14N2O3/c1-4-10-7-11(8(2)9(3)14-10)12-5-6-13(18-12)15(16)17/h5-7H,4H2,1-3H3
InChIKeyICIRMKGQRGIUEO-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.43
Rot. Bonds3

About 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine

6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine (PubChem CID 13029619) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine.

Molecular Properties

Compound Name6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine
PubChem CID13029619
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine
SMILESCCc1cc(-c2ccc([N+](=O)[O-])o2)c(C)c(C)n1
InChIInChI=1S/C13H14N2O3/c1-4-10-7-11(8(2)9(3)14-10)12-5-6-13(18-12)15(16)17/h5-7H,4H2,1-3H3
InChIKeyICIRMKGQRGIUEO-UHFFFAOYSA-N
XLogP3.43
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.43
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 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)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 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The IUPAC name of 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine (CID 13029619) is 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine.
What is the SMILES notation for 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The canonical SMILES for 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine is CCc1cc(-c2ccc([N+](=O)[O-])o2)c(C)c(C)n1.
What is the InChIKey of 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The InChIKey is ICIRMKGQRGIUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-4-10-7-11(8(2)9(3)14-10)12-5-6-13(18-12)15(16)17/h5-7H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine has a molecular weight of 246.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3-dimethyl-4-(5-nitrofuran-2-yl)pyridine is sourced from PubChem (CID 13029619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).