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

C13H9ClN2O — CID 83266847

IUPAC2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
SMILESCc1cnc(Cl)cc1Oc1ccccc1C#N
InChIInChI=1S/C13H9ClN2O/c1-9-8-16-13(14)6-12(9)17-11-5-3-2-4-10(11)7-15/h2-6,8H,1H3
InChIKeyQCSHWJRYOKDMAE-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.71
Rot. Bonds2

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

2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile (PubChem CID 83266847) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
PubChem CID83266847
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile
SMILESCc1cnc(Cl)cc1Oc1ccccc1C#N
InChIInChI=1S/C13H9ClN2O/c1-9-8-16-13(14)6-12(9)17-11-5-3-2-4-10(11)7-15/h2-6,8H,1H3
InChIKeyQCSHWJRYOKDMAE-UHFFFAOYSA-N
XLogP3.71
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.71
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-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
CID 83269918
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(2-cyanophenoxy)benzonitrile
CID 13435570
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile (CID 83266847) is 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile is Cc1cnc(Cl)cc1Oc1ccccc1C#N.
What is the InChIKey of 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile?
The InChIKey is QCSHWJRYOKDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-9-8-16-13(14)6-12(9)17-11-5-3-2-4-10(11)7-15/h2-6,8H,1H3.
What are the key properties of 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile?
2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile has a molecular weight of 244.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methyl-4-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 83266847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).