4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine

C14H13FN2O3 — CID 68701830

IUPAC4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1C
InChIInChI=1S/C14H13FN2O3/c1-9-10(2)16-7-13(17(18)19)14(9)20-8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3
InChIKeyRJEMVMMDXARYHH-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.32
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine

4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine (PubChem CID 68701830) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine
PubChem CID68701830
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1C
InChIInChI=1S/C14H13FN2O3/c1-9-10(2)16-7-13(17(18)19)14(9)20-8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3
InChIKeyRJEMVMMDXARYHH-UHFFFAOYSA-N
XLogP3.32
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.32
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-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine (CID 68701830) is 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine is Cc1ncc([N+](=O)[O-])c(OCc2ccc(F)cc2)c1C.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine?
The InChIKey is RJEMVMMDXARYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-9-10(2)16-7-13(17(18)19)14(9)20-8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine?
4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine has a molecular weight of 276.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-2,3-dimethyl-5-nitropyridine is sourced from PubChem (CID 68701830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).