2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile

C13H8FN3O3 — CID 104831698

IUPAC2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1C#N
InChIInChI=1S/C13H8FN3O3/c1-8-5-6-16-13(9(8)7-15)20-12-10(14)3-2-4-11(12)17(18)19/h2-6H,1H3
InChIKeyDFOJWCCUAMVSFN-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile

2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile (PubChem CID 104831698) has the molecular formula C13H8FN3O3 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile
PubChem CID104831698
Molecular FormulaC13H8FN3O3
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1C#N
InChIInChI=1S/C13H8FN3O3/c1-8-5-6-16-13(9(8)7-15)20-12-10(14)3-2-4-11(12)17(18)19/h2-6H,1H3
InChIKeyDFOJWCCUAMVSFN-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-6-nitrophenoxy)pyrazine-2-carboxylic acid
CID 104832435
2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546052
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
2-(2,5-dimethyl-4-nitrophenoxy)-6-fluorobenzonitrile
CID 78916032
3-chloro-4-(2-fluoro-6-nitrophenoxy)benzonitrile
CID 104831691
3-(2-fluoro-6-nitrophenoxy)pyridazine-4-carboxylic acid
CID 104832433
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
4-chloro-6-(2-fluoro-6-nitrophenoxy)-5-propylpyrimidine
CID 104831666
3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161
4-chloro-5-(chloromethyl)-6-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089174

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile (CID 104831698) is 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile is Cc1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1C#N.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile?
The InChIKey is DFOJWCCUAMVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3/c1-8-5-6-16-13(9(8)7-15)20-12-10(14)3-2-4-11(12)17(18)19/h2-6H,1H3.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile?
2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-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 2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 104831698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).