5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine

C13H11FN2O3 — CID 162431890

IUPAC5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
SMILESCc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-5-12(16(17)18)11(14)6-13(8)19-10-4-3-9(2)15-7-10/h3-7H,1-2H3
InChIKeyNGQMZTBHLZZRHJ-UHFFFAOYSA-N
MW262.24 g/mol
LogP3.54
Rot. Bonds3

About 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine

5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine (PubChem CID 162431890) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine.

Molecular Properties

Compound Name5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
PubChem CID162431890
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
SMILESCc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2C)cn1
InChIInChI=1S/C13H11FN2O3/c1-8-5-12(16(17)18)11(14)6-13(8)19-10-4-3-9(2)15-7-10/h3-7H,1-2H3
InChIKeyNGQMZTBHLZZRHJ-UHFFFAOYSA-N
XLogP3.54
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 53.54
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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Related Compounds

2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
CID 142787352
N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431691
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
CID 114044250
4-(bromomethyl)-1-(3-fluoro-4-nitrophenoxy)-2-methylbenzene
CID 107088217
N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
6-chloro-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-nitropyrimidin-4-amine
CID 86615745
1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
CID 170992588
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine?
The IUPAC name of 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine (CID 162431890) is 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine.
What is the SMILES notation for 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine?
The canonical SMILES for 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine is Cc1ccc(Oc2cc(F)c([N+](=O)[O-])cc2C)cn1.
What is the InChIKey of 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine?
The InChIKey is NGQMZTBHLZZRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-5-12(16(17)18)11(14)6-13(8)19-10-4-3-9(2)15-7-10/h3-7H,1-2H3.
What are the key properties of 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine?
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine has a molecular weight of 262.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine is sourced from PubChem (CID 162431890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).