3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine

C20H15ClF3NO2 — CID 154445850

IUPAC3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine
SMILESCc1nc(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc1Cl
InChIInChI=1S/C20H15ClF3NO2/c1-12-18(11-19(21)13(2)25-12)14-6-8-15(9-7-14)26-16-4-3-5-17(10-16)27-20(22,23)24/h3-11H,1-2H3
InChIKeyQTBUJTTVZUSQIF-UHFFFAOYSA-N
MW393.79 g/mol
LogP6.71
Rot. Bonds4

About 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine

3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine (PubChem CID 154445850) has the molecular formula C20H15ClF3NO2 and a molecular weight of 393.79 g/mol. Its IUPAC name is 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine
PubChem CID154445850
Molecular FormulaC20H15ClF3NO2
Molecular Weight393.79 g/mol
Exact Mass393.07
IUPAC Name3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine
SMILESCc1nc(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc1Cl
InChIInChI=1S/C20H15ClF3NO2/c1-12-18(11-19(21)13(2)25-12)14-6-8-15(9-7-14)26-16-4-3-5-17(10-16)27-20(22,23)24/h3-11H,1-2H3
InChIKeyQTBUJTTVZUSQIF-UHFFFAOYSA-N
XLogP6.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.79
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
3-bromo-4-methoxy-2,6-dimethyl-5-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine;3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
CID 161211993
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine?
The IUPAC name of 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine (CID 154445850) is 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine.
What is the SMILES notation for 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine?
The canonical SMILES for 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine is Cc1nc(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine?
The InChIKey is QTBUJTTVZUSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO2/c1-12-18(11-19(21)13(2)25-12)14-6-8-15(9-7-14)26-16-4-3-5-17(10-16)27-20(22,23)24/h3-11H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine?
3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine has a molecular weight of 393.79 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethyl-5-[4-[3-(trifluoromethoxy)phenoxy]phenyl]pyridine is sourced from PubChem (CID 154445850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).