4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine

C15H15Cl2NO — CID 81233958

IUPAC4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
SMILESCCc1cc(Oc2cc(C)ncc2CCl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-3-11-7-13(4-5-14(11)17)19-15-6-10(2)18-9-12(15)8-16/h4-7,9H,3,8H2,1-2H3
InChIKeyNXBLNGRUZGVEDT-UHFFFAOYSA-N
MW296.20 g/mol
LogP5.14
Rot. Bonds4

About 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine

4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine (PubChem CID 81233958) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
PubChem CID81233958
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
SMILESCCc1cc(Oc2cc(C)ncc2CCl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-3-11-7-13(4-5-14(11)17)19-15-6-10(2)18-9-12(15)8-16/h4-7,9H,3,8H2,1-2H3
InChIKeyNXBLNGRUZGVEDT-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.14
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-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
CID 114921279
N-[[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 81251160
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
CID 81233947
1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
5-(chloromethyl)-4-ethyl-2-methylpyridine
CID 168797453
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine (CID 81233958) is 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine is CCc1cc(Oc2cc(C)ncc2CCl)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine?
The InChIKey is NXBLNGRUZGVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-3-11-7-13(4-5-14(11)17)19-15-6-10(2)18-9-12(15)8-16/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine?
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine has a molecular weight of 296.20 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine is sourced from PubChem (CID 81233958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).