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

C20H13F6N — CID 58939585

IUPAC2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccccc1-c1ccccn1
InChIInChI=1S/C20H13F6N/c1-12-10-13(19(21,22)23)11-16(20(24,25)26)18(12)15-7-3-2-6-14(15)17-8-4-5-9-27-17/h2-11H,1H3
InChIKeyHOTINJAFMDVQJK-UHFFFAOYSA-N
MW381.32 g/mol
LogP6.76
Rot. Bonds2

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

2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 58939585) has the molecular formula C20H13F6N and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID58939585
Molecular FormulaC20H13F6N
Molecular Weight381.32 g/mol
Exact Mass381.10
IUPAC Name2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccccc1-c1ccccn1
InChIInChI=1S/C20H13F6N/c1-12-10-13(19(21,22)23)11-16(20(24,25)26)18(12)15-7-3-2-6-14(15)17-8-4-5-9-27-17/h2-11H,1H3
InChIKeyHOTINJAFMDVQJK-UHFFFAOYSA-N
XLogP6.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
2-[2-[(E)-prop-1-enyl]-5-(trifluoromethyl)phenyl]pyridine
CID 11964180
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-(2-tert-butylphenyl)pyridine
CID 67807360
[2-[2-(hydroxymethyl)-4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]-4-pyridinyl]methanol
CID 58401318

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine (CID 58939585) is 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine is Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccccc1-c1ccccn1.
What is the InChIKey of 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is HOTINJAFMDVQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N/c1-12-10-13(19(21,22)23)11-16(20(24,25)26)18(12)15-7-3-2-6-14(15)17-8-4-5-9-27-17/h2-11H,1H3.
What are the key properties of 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine?
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 381.32 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 58939585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).