2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine

C19H13F4N — CID 59330238

IUPAC2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C19H13F4N/c1-11-2-5-19(24-10-11)12-3-4-14(16(21)6-12)13-7-17(22)15(9-20)18(23)8-13/h2-8,10H,9H2,1H3
InChIKeyKHXNVNWMDRBJMW-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.61
Rot. Bonds3

About 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine

2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine (PubChem CID 59330238) has the molecular formula C19H13F4N and a molecular weight of 331.31 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
PubChem CID59330238
Molecular FormulaC19H13F4N
Molecular Weight331.31 g/mol
Exact Mass331.10
IUPAC Name2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)nc1
InChIInChI=1S/C19H13F4N/c1-11-2-5-19(24-10-11)12-3-4-14(16(21)6-12)13-7-17(22)15(9-20)18(23)8-13/h2-8,10H,9H2,1H3
InChIKeyKHXNVNWMDRBJMW-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.31
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-(fluoromethyl)-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 59557505
2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
CID 59330244
5-(2-fluoro-4-methylphenyl)-2-(3-fluoro-4-methylphenyl)pyridine
CID 54326590
5-methyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168823076
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
4-[4-[4-[[2,6-difluoro-4-(5-methyl-2-pyridinyl)phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorophenyl]-2,6-difluorophenol
CID 143980048
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195
[3,5-difluoro-4-(trifluoromethyl)phenyl] hypofluorite;2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
CID 158422775
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
2-(3-fluoro-5-methylphenyl)-5-methylpyridine
CID 147408011

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine?
The IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine (CID 59330238) is 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine.
What is the SMILES notation for 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine?
The canonical SMILES for 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine is Cc1ccc(-c2ccc(-c3cc(F)c(CF)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine?
The InChIKey is KHXNVNWMDRBJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N/c1-11-2-5-19(24-10-11)12-3-4-14(16(21)6-12)13-7-17(22)15(9-20)18(23)8-13/h2-8,10H,9H2,1H3.
What are the key properties of 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine?
2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine has a molecular weight of 331.31 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-difluoro-4-(fluoromethyl)phenyl]-3-fluorophenyl]-5-methylpyridine is sourced from PubChem (CID 59330238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).