4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine

C14H9F6NO — CID 132551105

IUPAC4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F6NO/c1-22-10-4-2-8(3-5-10)9-6-11(13(15,16)17)21-12(7-9)14(18,19)20/h2-7H,1H3
InChIKeyQKYBYBBXWSGPBM-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.79
Rot. Bonds2

About 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine

4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine (PubChem CID 132551105) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine
PubChem CID132551105
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H9F6NO/c1-22-10-4-2-8(3-5-10)9-6-11(13(15,16)17)21-12(7-9)14(18,19)20/h2-7H,1H3
InChIKeyQKYBYBBXWSGPBM-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-Methoxyphenyl)ethynyl]-6-methylpyridine
CID 5311462
2-Methyl-6-(3-p-tolyloxy-prop-1-ynyl)pyridine
CID 11481793
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
4-(4-Fluorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 789665
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
2-Bromo-6-(4-methoxyphenyl)pyridine
CID 11065299
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
2-Methoxy-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 2768879
2-Methyl-6-(3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl)pyridine
CID 11265885
2-(3-(4-Isopropylphenoxy)prop-1-ynyl)-6-methylpyridine
CID 11323067

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine (CID 132551105) is 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine?
The InChIKey is QKYBYBBXWSGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c1-22-10-4-2-8(3-5-10)9-6-11(13(15,16)17)21-12(7-9)14(18,19)20/h2-7H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine?
4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine has a molecular weight of 321.22 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 132551105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).