2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine

C14H14ClNO — CID 82225212

IUPAC2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine
SMILESCc1cc(C)cc(Oc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H14ClNO/c1-9-4-10(2)6-12(5-9)17-13-7-11(3)14(15)16-8-13/h4-8H,1-3H3
InChIKeyKNZQELSKOUVMHJ-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.45
Rot. Bonds2

About 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine

2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine (PubChem CID 82225212) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine
PubChem CID82225212
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine
SMILESCc1cc(C)cc(Oc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H14ClNO/c1-9-4-10(2)6-12(5-9)17-13-7-11(3)14(15)16-8-13/h4-8H,1-3H3
InChIKeyKNZQELSKOUVMHJ-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(4-ethylphenoxy)-3-methylpyridine
CID 82225211
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
6-(3,5-dimethylphenoxy)-4-methylpyridin-3-amine
CID 79020990
5-(3,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidine;ethane;hydroiodide
CID 176690867
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
CID 22425300
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
5-(3,5-dimethylphenoxy)-1,3-oxazole
CID 90824960
4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
CID 20537920
8-[(6-chloro-5-methyl-3-pyridinyl)oxy]-3,4-dihydro-2H-chromen-3-amine
CID 135373550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine?
The IUPAC name of 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine (CID 82225212) is 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine.
What is the SMILES notation for 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine?
The canonical SMILES for 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine is Cc1cc(C)cc(Oc2cnc(Cl)c(C)c2)c1.
What is the InChIKey of 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine?
The InChIKey is KNZQELSKOUVMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-9-4-10(2)6-12(5-9)17-13-7-11(3)14(15)16-8-13/h4-8H,1-3H3.
What are the key properties of 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine?
2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine has a molecular weight of 247.72 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine is sourced from PubChem (CID 82225212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).