2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine

C20H14F5N — CID 58401085

IUPAC2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1
InChIInChI=1S/C20H14F5N/c1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25/h3-10H,1-2H3
InChIKeyRTBOGHWLVHJVNX-UHFFFAOYSA-N
MW363.33 g/mol
LogP6.33
Rot. Bonds2

About 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine

2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine (PubChem CID 58401085) has the molecular formula C20H14F5N and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine
PubChem CID58401085
Molecular FormulaC20H14F5N
Molecular Weight363.33 g/mol
Exact Mass363.10
IUPAC Name2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1
InChIInChI=1S/C20H14F5N/c1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25/h3-10H,1-2H3
InChIKeyRTBOGHWLVHJVNX-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[3,5-bis(trifluoromethyl)phenyl]-2,4-difluorophenyl]-5-methylpyridine
CID 58239787
1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
CID 152897168
5-methyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168823076
2-[2,3-difluoro-4-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine
CID 20663203
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
2-(3-fluoro-5-methylphenyl)-5-methylpyridine
CID 147408011
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-(2,3-difluoro-4-methoxyphenyl)-5-methylpyridine
CID 19910946
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 130334912
3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
CID 121289152
2-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyridine
CID 70985275

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine?
The IUPAC name of 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine (CID 58401085) is 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine.
What is the SMILES notation for 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine?
The canonical SMILES for 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine is Cc1ccc(-c2ccc(F)c(-c3cc(C)cc(C(F)(F)F)c3)c2F)nc1.
What is the InChIKey of 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine?
The InChIKey is RTBOGHWLVHJVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5N/c1-11-3-6-17(26-10-11)15-4-5-16(21)18(19(15)22)13-7-12(2)8-14(9-13)20(23,24)25/h3-10H,1-2H3.
What are the key properties of 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine?
2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine has a molecular weight of 363.33 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylpyridine is sourced from PubChem (CID 58401085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).