5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine

C19H12ClF3N6O — CID 170608563

IUPAC5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine
SMILESFC(F)(F)c1cccc(Cl)c1COc1cnc(-n2ncc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H12ClF3N6O/c20-15-5-3-4-14(19(21,22)23)13(15)11-30-12-8-25-18(26-9-12)29-27-10-17(28-29)16-6-1-2-7-24-16/h1-10H,11H2
InChIKeyVIFVOKHALVZASO-UHFFFAOYSA-N
MW432.79 g/mol
LogP4.37
Rot. Bonds5

About 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine

5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine (PubChem CID 170608563) has the molecular formula C19H12ClF3N6O and a molecular weight of 432.79 g/mol. Its IUPAC name is 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine.

Molecular Properties

Compound Name5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine
PubChem CID170608563
Molecular FormulaC19H12ClF3N6O
Molecular Weight432.79 g/mol
Exact Mass432.07
IUPAC Name5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine
SMILESFC(F)(F)c1cccc(Cl)c1COc1cnc(-n2ncc(-c3ccccn3)n2)nc1
InChIInChI=1S/C19H12ClF3N6O/c20-15-5-3-4-14(19(21,22)23)13(15)11-30-12-8-25-18(26-9-12)29-27-10-17(28-29)16-6-1-2-7-24-16/h1-10H,11H2
InChIKeyVIFVOKHALVZASO-UHFFFAOYSA-N
XLogP4.37
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine?
The IUPAC name of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine (CID 170608563) is 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine.
What is the SMILES notation for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine?
The canonical SMILES for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine is FC(F)(F)c1cccc(Cl)c1COc1cnc(-n2ncc(-c3ccccn3)n2)nc1.
What is the InChIKey of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine?
The InChIKey is VIFVOKHALVZASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N6O/c20-15-5-3-4-14(19(21,22)23)13(15)11-30-12-8-25-18(26-9-12)29-27-10-17(28-29)16-6-1-2-7-24-16/h1-10H,11H2.
What are the key properties of 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine?
5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine has a molecular weight of 432.79 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]-2-(4-pyridin-2-yltriazol-2-yl)pyrimidine is sourced from PubChem (CID 170608563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).