4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine

C22H14Cl2F3N3O — CID 57458722

IUPAC4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccncc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-2-1-3-19(24)21(18)30-16(12-20(29-30)22(25,26)27)13-31-17-6-4-14(5-7-17)15-8-10-28-11-9-15/h1-12H,13H2
InChIKeyAILSJVPWXNVVJI-UHFFFAOYSA-N
MW464.27 g/mol
LogP6.84
Rot. Bonds5

About 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine

4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine (PubChem CID 57458722) has the molecular formula C22H14Cl2F3N3O and a molecular weight of 464.27 g/mol. Its IUPAC name is 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
PubChem CID57458722
Molecular FormulaC22H14Cl2F3N3O
Molecular Weight464.27 g/mol
Exact Mass463.05
IUPAC Name4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccncc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-2-1-3-19(24)21(18)30-16(12-20(29-30)22(25,26)27)13-31-17-6-4-14(5-7-17)15-8-10-28-11-9-15/h1-12H,13H2
InChIKeyAILSJVPWXNVVJI-UHFFFAOYSA-N
XLogP6.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.27
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The IUPAC name of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine (CID 57458722) is 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine is FC(F)(F)c1cc(COc2ccc(-c3ccncc3)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
The InChIKey is AILSJVPWXNVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N3O/c23-18-2-1-3-19(24)21(18)30-16(12-20(29-30)22(25,26)27)13-31-17-6-4-14(5-7-17)15-8-10-28-11-9-15/h1-12H,13H2.
What are the key properties of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine?
4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine has a molecular weight of 464.27 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 57458722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).