4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine

C17H11ClF3N3O2 — CID 54279162

IUPAC4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H11ClF3N3O2/c1-10-8-15(25-13-6-7-22-14(18)9-13)24-16(23-10)11-2-4-12(5-3-11)26-17(19,20)21/h2-9H,1H3
InChIKeyRPONOTBYIOWOCQ-UHFFFAOYSA-N
MW381.74 g/mol
LogP5.19
Rot. Bonds4

About 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine

4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 54279162) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID54279162
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C17H11ClF3N3O2/c1-10-8-15(25-13-6-7-22-14(18)9-13)24-16(23-10)11-2-4-12(5-3-11)26-17(19,20)21/h2-9H,1H3
InChIKeyRPONOTBYIOWOCQ-UHFFFAOYSA-N
XLogP5.19
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.74
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 54279162) is 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is Cc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is RPONOTBYIOWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c1-10-8-15(25-13-6-7-22-14(18)9-13)24-16(23-10)11-2-4-12(5-3-11)26-17(19,20)21/h2-9H,1H3.
What are the key properties of 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine?
4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 381.74 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 54279162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).