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

C11H10N2O3 — CID 13029618

IUPAC2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine
SMILESCc1cc(-c2ccc([N+](=O)[O-])o2)cc(C)n1
InChIInChI=1S/C11H10N2O3/c1-7-5-9(6-8(2)12-7)10-3-4-11(16-10)13(14)15/h3-6H,1-2H3
InChIKeyCIECFZWENKFJPN-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.87
Rot. Bonds2

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

2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine (PubChem CID 13029618) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine
PubChem CID13029618
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine
SMILESCc1cc(-c2ccc([N+](=O)[O-])o2)cc(C)n1
InChIInChI=1S/C11H10N2O3/c1-7-5-9(6-8(2)12-7)10-3-4-11(16-10)13(14)15/h3-6H,1-2H3
InChIKeyCIECFZWENKFJPN-UHFFFAOYSA-N
XLogP2.87
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.87
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 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The IUPAC name of 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine (CID 13029618) is 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine.
What is the SMILES notation for 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The canonical SMILES for 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine is Cc1cc(-c2ccc([N+](=O)[O-])o2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
The InChIKey is CIECFZWENKFJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-5-9(6-8(2)12-7)10-3-4-11(16-10)13(14)15/h3-6H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine?
2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine has a molecular weight of 218.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-nitrofuran-2-yl)pyridine is sourced from PubChem (CID 13029618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).