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

C14H11ClF3NO — CID 102449554

IUPAC6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine
SMILESCCOc1ccc(-c2nc(Cl)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-20-10-5-3-9(4-6-10)13-11(14(16,17)18)7-8-12(15)19-13/h3-8H,2H2,1H3
InChIKeyLNHYXBZQSZGRLL-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.82
Rot. Bonds3

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

6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine (PubChem CID 102449554) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine
PubChem CID102449554
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine
SMILESCCOc1ccc(-c2nc(Cl)ccc2C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3NO/c1-2-20-10-5-3-9(4-6-10)13-11(14(16,17)18)7-8-12(15)19-13/h3-8H,2H2,1H3
InChIKeyLNHYXBZQSZGRLL-UHFFFAOYSA-N
XLogP4.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Chloropyridin-2-yl)-2-(2-methoxyphenyl)acetonitrile
CID 3713668
2-Methyl-6-(3-p-tolyloxy-prop-1-ynyl)pyridine
CID 11481793
2-(3-Chloro-benzyloxy)-6-methyl-isonicotinonitrile
CID 15949470
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
2-(6-Chloropyridin-2-yl)-2-(2-(trifluoromethoxy)-phenyl)acetonitrile (11)
CID 56604890
6-[(3-Chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile
CID 73755216
2-Methoxy-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 2768879
2-(4-Butoxyphenyl)pyridine
CID 11322128
2-[3-(4-Chlorophenoxy)prop-1-yn-1-yl]-6-methylpyridine
CID 11345906
2-(3-(3-Chlorophenoxy)prop-1-ynyl)-6-methylpyridine
CID 44415963
2,6-Bis(4-methoxyphenyl)pyridine
CID 740843
2-Chloro-7-methoxy-4-methylquinoline
CID 732214

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine (CID 102449554) is 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine is CCOc1ccc(-c2nc(Cl)ccc2C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is LNHYXBZQSZGRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-2-20-10-5-3-9(4-6-10)13-11(14(16,17)18)7-8-12(15)19-13/h3-8H,2H2,1H3.
What are the key properties of 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine?
6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 301.70 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 102449554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).