3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine

C13H11Cl2NO — CID 114847144

IUPAC3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
SMILESCc1ncccc1Oc1ccc(Cl)cc1CCl
InChIInChI=1S/C13H11Cl2NO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3
InChIKeyRMAWLVHDDJPXDS-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds3

About 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine

3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine (PubChem CID 114847144) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine.

Molecular Properties

Compound Name3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
PubChem CID114847144
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
SMILESCc1ncccc1Oc1ccc(Cl)cc1CCl
InChIInChI=1S/C13H11Cl2NO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3
InChIKeyRMAWLVHDDJPXDS-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.57
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

3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
CID 107088857
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
3-(chloromethyl)-2-(2,4-dichlorophenoxy)pyridine
CID 61268068
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine?
The IUPAC name of 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine (CID 114847144) is 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine.
What is the SMILES notation for 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine?
The canonical SMILES for 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine is Cc1ncccc1Oc1ccc(Cl)cc1CCl.
What is the InChIKey of 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine?
The InChIKey is RMAWLVHDDJPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-12(3-2-6-16-9)17-13-5-4-11(15)7-10(13)8-14/h2-7H,8H2,1H3.
What are the key properties of 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine?
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine has a molecular weight of 268.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine is sourced from PubChem (CID 114847144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).