4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine

C20H13F6NO — CID 134618215

IUPAC4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)nc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H13F6NO/c1-28-12-10-17(13-6-2-4-8-15(13)19(21,22)23)27-18(11-12)14-7-3-5-9-16(14)20(24,25)26/h2-11H,1H3
InChIKeyJDTSMBJXZXAFCH-UHFFFAOYSA-N
MW397.32 g/mol
LogP6.46
Rot. Bonds3

About 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine

4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 134618215) has the molecular formula C20H13F6NO and a molecular weight of 397.32 g/mol. Its IUPAC name is 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
PubChem CID134618215
Molecular FormulaC20H13F6NO
Molecular Weight397.32 g/mol
Exact Mass397.09
IUPAC Name4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)nc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H13F6NO/c1-28-12-10-17(13-6-2-4-8-15(13)19(21,22)23)27-18(11-12)14-7-3-5-9-16(14)20(24,25)26/h2-11H,1H3
InChIKeyJDTSMBJXZXAFCH-UHFFFAOYSA-N
XLogP6.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 86657408
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
7-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 141310764
2-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71563552
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
1,3,6,8-tetramethoxy-9-[2-(trifluoromethyl)phenyl]thioxanthen-10-ium
CID 164686364
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-chloro-6-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 119004606
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine (CID 134618215) is 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine is COc1cc(-c2ccccc2C(F)(F)F)nc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is JDTSMBJXZXAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO/c1-28-12-10-17(13-6-2-4-8-15(13)19(21,22)23)27-18(11-12)14-7-3-5-9-16(14)20(24,25)26/h2-11H,1H3.
What are the key properties of 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine?
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 397.32 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134618215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).