4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C16H9ClF3N3O — CID 1478446

IUPAC4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9ClF3N3O/c17-10-5-1-2-7-12(10)24-14-9-13(16(18,19)20)22-15(23-14)11-6-3-4-8-21-11/h1-9H
InChIKeyKCIGSSKTLZLPQL-UHFFFAOYSA-N
MW351.72 g/mol
LogP5.00
Rot. Bonds3

About 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1478446) has the molecular formula C16H9ClF3N3O and a molecular weight of 351.72 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1478446
Molecular FormulaC16H9ClF3N3O
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC Name4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1
InChIInChI=1S/C16H9ClF3N3O/c17-10-5-1-2-7-12(10)24-14-9-13(16(18,19)20)22-15(23-14)11-6-3-4-8-21-11/h1-9H
InChIKeyKCIGSSKTLZLPQL-UHFFFAOYSA-N
XLogP5.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.72
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1478446) is 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is KCIGSSKTLZLPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O/c17-10-5-1-2-7-12(10)24-14-9-13(16(18,19)20)22-15(23-14)11-6-3-4-8-21-11/h1-9H.
What are the key properties of 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 351.72 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1478446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).