2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine

C12H9FN2O3 — CID 71079354

IUPAC2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine
SMILESCOc1ccc(-c2cccc(F)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN2O3/c1-18-8-5-6-9(11(7-8)15(16)17)10-3-2-4-12(13)14-10/h2-7H,1H3
InChIKeyCRDGUQLPNRTDIJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.80
Rot. Bonds3

About 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine

2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine (PubChem CID 71079354) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine
PubChem CID71079354
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine
SMILESCOc1ccc(-c2cccc(F)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN2O3/c1-18-8-5-6-9(11(7-8)15(16)17)10-3-2-4-12(13)14-10/h2-7H,1H3
InChIKeyCRDGUQLPNRTDIJ-UHFFFAOYSA-N
XLogP2.80
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine?
The IUPAC name of 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine (CID 71079354) is 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine?
The canonical SMILES for 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine is COc1ccc(-c2cccc(F)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine?
The InChIKey is CRDGUQLPNRTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-18-8-5-6-9(11(7-8)15(16)17)10-3-2-4-12(13)14-10/h2-7H,1H3.
What are the key properties of 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine?
2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine has a molecular weight of 248.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methoxy-2-nitrophenyl)pyridine is sourced from PubChem (CID 71079354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).