2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine

C14H13Cl2NO — CID 79261295

IUPAC2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(Cl)cc2CCl)n1
InChIInChI=1S/C14H13Cl2NO/c1-10-3-2-4-13(17-10)9-18-14-6-5-12(16)7-11(14)8-15/h2-7H,8-9H2,1H3
InChIKeyMUIQQYZITFZMHZ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.36
Rot. Bonds4

About 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine

2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine (PubChem CID 79261295) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
PubChem CID79261295
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(Cl)cc2CCl)n1
InChIInChI=1S/C14H13Cl2NO/c1-10-3-2-4-13(17-10)9-18-14-6-5-12(16)7-11(14)8-15/h2-7H,8-9H2,1H3
InChIKeyMUIQQYZITFZMHZ-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.36
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

2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 104666335
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
CID 154993538
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
3-chloro-N-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 91419838
3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82916085

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine (CID 79261295) is 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine is Cc1cccc(COc2ccc(Cl)cc2CCl)n1.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine?
The InChIKey is MUIQQYZITFZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-10-3-2-4-13(17-10)9-18-14-6-5-12(16)7-11(14)8-15/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine?
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine has a molecular weight of 282.17 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 79261295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).