2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine

C18H12ClF3N2O — CID 18784497

IUPAC2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12ClF3N2O/c1-11-8-15(12-2-4-13(5-3-12)18(20,21)22)24-17(9-11)25-14-6-7-23-16(19)10-14/h2-10H,1H3
InChIKeyOQVAJDAGHZNMTB-UHFFFAOYSA-N
MW364.75 g/mol
LogP5.92
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine

2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 18784497) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID18784497
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H12ClF3N2O/c1-11-8-15(12-2-4-13(5-3-12)18(20,21)22)24-17(9-11)25-14-6-7-23-16(19)10-14/h2-10H,1H3
InChIKeyOQVAJDAGHZNMTB-UHFFFAOYSA-N
XLogP5.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.75
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine (CID 18784497) is 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is OQVAJDAGHZNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-11-8-15(12-2-4-13(5-3-12)18(20,21)22)24-17(9-11)25-14-6-7-23-16(19)10-14/h2-10H,1H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine?
2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 364.75 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxy]-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 18784497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).