2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine

C25H15F6NO — CID 145497031

IUPAC2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(F)c(F)c4)c(F)c3)nc2)cc1
InChIInChI=1S/C25H15F6NO/c1-14-2-4-15(5-3-14)16-6-9-23(32-13-16)17-10-21(28)24(22(29)11-17)25(30,31)33-18-7-8-19(26)20(27)12-18/h2-13H,1H3
InChIKeyJTPVUSUNDSZWLS-UHFFFAOYSA-N
MW459.39 g/mol
LogP7.41
Rot. Bonds5

About 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine

2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine (PubChem CID 145497031) has the molecular formula C25H15F6NO and a molecular weight of 459.39 g/mol. Its IUPAC name is 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
PubChem CID145497031
Molecular FormulaC25H15F6NO
Molecular Weight459.39 g/mol
Exact Mass459.11
IUPAC Name2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(F)c(F)c4)c(F)c3)nc2)cc1
InChIInChI=1S/C25H15F6NO/c1-14-2-4-15(5-3-14)16-6-9-23(32-13-16)17-10-21(28)24(22(29)11-17)25(30,31)33-18-7-8-19(26)20(27)12-18/h2-13H,1H3
InChIKeyJTPVUSUNDSZWLS-UHFFFAOYSA-N
XLogP7.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.39
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-methylpyridine
CID 90210819
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-methylpyridine
CID 58090397
4-[4-[4-[[2,6-difluoro-4-(5-methyl-2-pyridinyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorophenyl]-2,6-difluorophenol
CID 143980048
2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine
CID 143980156
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]benzenethiol
CID 134374860
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738372
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
CID 135223795
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
5-but-3-enyl-2-[4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]pyridine
CID 58383679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine?
The IUPAC name of 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine (CID 145497031) is 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine.
What is the SMILES notation for 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine?
The canonical SMILES for 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine is Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(F)c(F)c4)c(F)c3)nc2)cc1.
What is the InChIKey of 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine?
The InChIKey is JTPVUSUNDSZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F6NO/c1-14-2-4-15(5-3-14)16-6-9-23(32-13-16)17-10-21(28)24(22(29)11-17)25(30,31)33-18-7-8-19(26)20(27)12-18/h2-13H,1H3.
What are the key properties of 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine?
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine has a molecular weight of 459.39 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine is sourced from PubChem (CID 145497031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).