5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine

C14H13Cl2NO — CID 80628036

IUPAC5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
SMILESCc1ccc(Cl)cc1Oc1ncc(CCl)cc1C
InChIInChI=1S/C14H13Cl2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyHRLYJMMXSDLESF-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.88
Rot. Bonds3

About 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine

5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine (PubChem CID 80628036) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
PubChem CID80628036
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
SMILESCc1ccc(Cl)cc1Oc1ncc(CCl)cc1C
InChIInChI=1S/C14H13Cl2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3
InChIKeyHRLYJMMXSDLESF-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 80628878
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
CID 114046402
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
3-chloro-5-(chloromethyl)-2-(2,5-difluorophenoxy)pyridine
CID 63269403
2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-(chloromethyl)-3-methylpyridine
CID 103483413
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)-3-methylpyridine
CID 107086305

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine?
The IUPAC name of 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine (CID 80628036) is 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine is Cc1ccc(Cl)cc1Oc1ncc(CCl)cc1C.
What is the InChIKey of 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine?
The InChIKey is HRLYJMMXSDLESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-3-4-12(16)6-13(9)18-14-10(2)5-11(7-15)8-17-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine?
5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine has a molecular weight of 282.17 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine is sourced from PubChem (CID 80628036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).