2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine

C19H11ClF5NO — CID 18359739

IUPAC2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C19H11ClF5NO/c1-10-15(21)17(11-5-7-13(20)8-6-11)26-18(16(10)22)27-14-4-2-3-12(9-14)19(23,24)25/h2-9H,1H3
InChIKeySLTQYEXOFLQNBI-UHFFFAOYSA-N
MW399.75 g/mol
LogP6.80
Rot. Bonds3

About 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine

2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 18359739) has the molecular formula C19H11ClF5NO and a molecular weight of 399.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID18359739
Molecular FormulaC19H11ClF5NO
Molecular Weight399.75 g/mol
Exact Mass399.04
IUPAC Name2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C19H11ClF5NO/c1-10-15(21)17(11-5-7-13(20)8-6-11)26-18(16(10)22)27-14-4-2-3-12(9-14)19(23,24)25/h2-9H,1H3
InChIKeySLTQYEXOFLQNBI-UHFFFAOYSA-N
XLogP6.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.75
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 18359739) is 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine is Cc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is SLTQYEXOFLQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF5NO/c1-10-15(21)17(11-5-7-13(20)8-6-11)26-18(16(10)22)27-14-4-2-3-12(9-14)19(23,24)25/h2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine?
2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 399.75 g/mol, XLogP of 6.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 18359739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).