2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine

C14H11ClF3NO2 — CID 102715253

IUPAC2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
SMILESCCOc1cccc(Oc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C14H11ClF3NO2/c1-2-20-10-4-3-5-11(8-10)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-8H,2H2,1H3
InChIKeyOUYHKDGWFJJOJN-UHFFFAOYSA-N
MW317.69 g/mol
LogP4.94
Rot. Bonds4

About 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine

2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine (PubChem CID 102715253) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
PubChem CID102715253
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
SMILESCCOc1cccc(Oc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C14H11ClF3NO2/c1-2-20-10-4-3-5-11(8-10)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-8H,2H2,1H3
InChIKeyOUYHKDGWFJJOJN-UHFFFAOYSA-N
XLogP4.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 102715183
2-chloro-6-(3-ethoxyphenoxy)pyrazine
CID 55061194
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
4-chloro-6-(3-ethoxyphenoxy)pyrimidine
CID 55061243
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
CID 103174626
2-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetonitrile
CID 102715194
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine (CID 102715253) is 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine is CCOc1cccc(Oc2cc(C(F)(F)F)cc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is OUYHKDGWFJJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c1-2-20-10-4-3-5-11(8-10)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine?
2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 317.69 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).