2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine

C14H11Cl4NO2 — CID 21330009

IUPAC2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C14H11Cl4NO2/c15-12-8-10(14(16,17)18)9-13(19-12)21-7-6-20-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2
InChIKeyVQUNGEVVDNVVAI-UHFFFAOYSA-N
MW367.06 g/mol
LogP5.02
Rot. Bonds5

About 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine

2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine (PubChem CID 21330009) has the molecular formula C14H11Cl4NO2 and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
PubChem CID21330009
Molecular FormulaC14H11Cl4NO2
Molecular Weight367.06 g/mol
Exact Mass364.95
IUPAC Name2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)cc(OCCOc2ccccc2)n1
InChIInChI=1S/C14H11Cl4NO2/c15-12-8-10(14(16,17)18)9-13(19-12)21-7-6-20-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2
InChIKeyVQUNGEVVDNVVAI-UHFFFAOYSA-N
XLogP5.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.06
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397
4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
CID 54278545
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
CID 114561970
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
2-phenoxyethylmercury
CID 163598363
N,4-dimethyl-6-(2-phenoxyethoxy)pyrimidin-2-amine
CID 80859312
2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
CID 102715253
2-phenoxyethyl 2-chloroquinoline-4-carboxylate
CID 9009317
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
CID 114157430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine (CID 21330009) is 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine is Clc1cc(C(Cl)(Cl)Cl)cc(OCCOc2ccccc2)n1.
What is the InChIKey of 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine?
The InChIKey is VQUNGEVVDNVVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4NO2/c15-12-8-10(14(16,17)18)9-13(19-12)21-7-6-20-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2.
What are the key properties of 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine?
2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine has a molecular weight of 367.06 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine is sourced from PubChem (CID 21330009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).