4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile

C13H8ClFN2O — CID 83269918

IUPAC4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESCc1cnc(Cl)cc1Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C13H8ClFN2O/c1-8-7-17-13(14)5-12(8)18-10-3-2-9(6-16)11(15)4-10/h2-5,7H,1H3
InChIKeyVUOXEYAWEIIUDX-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.85
Rot. Bonds2

About 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile

4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile (PubChem CID 83269918) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
PubChem CID83269918
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
SMILESCc1cnc(Cl)cc1Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C13H8ClFN2O/c1-8-7-17-13(14)5-12(8)18-10-3-2-9(6-16)11(15)4-10/h2-5,7H,1H3
InChIKeyVUOXEYAWEIIUDX-UHFFFAOYSA-N
XLogP3.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248
2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
CID 83266847
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
2-chloro-4-(3-ethoxyphenoxy)-5-methylpyridine
CID 83266855
4-[2-chloro-4-(chloromethyl)phenoxy]-2-fluorobenzonitrile
CID 81152393
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile (CID 83269918) is 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile is Cc1cnc(Cl)cc1Oc1ccc(C#N)c(F)c1.
What is the InChIKey of 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile?
The InChIKey is VUOXEYAWEIIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c1-8-7-17-13(14)5-12(8)18-10-3-2-9(6-16)11(15)4-10/h2-5,7H,1H3.
What are the key properties of 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile?
4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile has a molecular weight of 262.67 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile is sourced from PubChem (CID 83269918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).