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

C14H12Cl3NO — CID 114921279

IUPAC5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
SMILESCCc1cc(Oc2cc(CCl)c(Cl)cn2)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-2-9-5-11(3-4-12(9)16)19-14-6-10(7-15)13(17)8-18-14/h3-6,8H,2,7H2,1H3
InChIKeyXHVXUJAFEJJIQD-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.48
Rot. Bonds4

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

5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine (PubChem CID 114921279) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
PubChem CID114921279
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine
SMILESCCc1cc(Oc2cc(CCl)c(Cl)cn2)ccc1Cl
InChIInChI=1S/C14H12Cl3NO/c1-2-9-5-11(3-4-12(9)16)19-14-6-10(7-15)13(17)8-18-14/h3-6,8H,2,7H2,1H3
InChIKeyXHVXUJAFEJJIQD-UHFFFAOYSA-N
XLogP5.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
CID 115928099
2-butoxy-5-chloro-4-(chloromethyl)pyridine
CID 114921209
[2-(4-chloro-3-ethylphenoxy)-4-pyridinyl]methanol
CID 61257143
2-(4-chloro-3-ethylphenoxy)pyridine-4-carbonitrile
CID 43243239
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
5-chloro-4-(chloromethyl)-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
CID 114921335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine?
The IUPAC name of 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine (CID 114921279) is 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine?
The canonical SMILES for 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine is CCc1cc(Oc2cc(CCl)c(Cl)cn2)ccc1Cl.
What is the InChIKey of 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine?
The InChIKey is XHVXUJAFEJJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-2-9-5-11(3-4-12(9)16)19-14-6-10(7-15)13(17)8-18-14/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine?
5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine has a molecular weight of 316.62 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-3-ethylphenoxy)-4-(chloromethyl)pyridine is sourced from PubChem (CID 114921279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).