3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine

C20H16F3NO — CID 138757094

IUPAC3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3)nc2OCC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO/c1-14-7-9-15(10-8-14)17-11-12-18(16-5-3-2-4-6-16)24-19(17)25-13-20(21,22)23/h2-12H,13H2,1H3
InChIKeyWHGGATRQBRMEEI-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.67
Rot. Bonds4

About 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine

3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 138757094) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID138757094
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1ccc(-c2ccc(-c3ccccc3)nc2OCC(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO/c1-14-7-9-15(10-8-14)17-11-12-18(16-5-3-2-4-6-16)24-19(17)25-13-20(21,22)23/h2-12H,13H2,1H3
InChIKeyWHGGATRQBRMEEI-UHFFFAOYSA-N
XLogP5.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
Ethyl 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)oxy]acetate
CID 2813721
2-(Benzyloxy)-4,6-diphenylpyridine-3-carbonitrile
CID 3112242
6-(4,6-Diphenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid
CID 9976757
6-[4-(2-Fluoro-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 9999755
2,2-Dimethyl-6-[(4,6-diphenyl-2-pyridyl)oxy]hexanoic acid
CID 10023244
6-[6-Phenyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yloxy]-hexanoic acid
CID 10071290
2-Methyl-6-(6-phenyl-4-p-tolyl-pyridin-2-yloxy)-hexanoic acid
CID 10091738

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine (CID 138757094) is 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine is Cc1ccc(-c2ccc(-c3ccccc3)nc2OCC(F)(F)F)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is WHGGATRQBRMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-14-7-9-15(10-8-14)17-11-12-18(16-5-3-2-4-6-16)24-19(17)25-13-20(21,22)23/h2-12H,13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine?
3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 343.35 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenyl-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 138757094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).