3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile

C13H8FN3O3 — CID 114416641

IUPAC3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
SMILESCc1cc(Oc2cnccc2C#N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-13-7-16-3-2-9(13)6-15/h2-5,7H,1H3
InChIKeyXWEYFNDIEGUNQL-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile

3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile (PubChem CID 114416641) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
PubChem CID114416641
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile
SMILESCc1cc(Oc2cnccc2C#N)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-13-7-16-3-2-9(13)6-15/h2-5,7H,1H3
InChIKeyXWEYFNDIEGUNQL-UHFFFAOYSA-N
XLogP3.10
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-4-carbonitrile
CID 114416620
2-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylbenzonitrile
CID 107928265
3-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
3-(4-bromo-2-methyl-6-nitrophenoxy)pyridine-4-carbonitrile
CID 114287981
2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)benzonitrile
CID 114416625
3-(2,4-difluorophenoxy)pyridine-4-carbonitrile
CID 113269432
4-(2,5-dimethyl-4-nitrophenoxy)-3-fluorobenzonitrile
CID 63180886
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
2-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 114417001
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile (CID 114416641) is 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile is Cc1cc(Oc2cnccc2C#N)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile?
The InChIKey is XWEYFNDIEGUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-13-7-16-3-2-9(13)6-15/h2-5,7H,1H3.
What are the key properties of 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile?
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile has a molecular weight of 273.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 114416641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).