methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate

C18H12F3N3O3 — CID 1478443

IUPACmethyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H12F3N3O3/c1-26-17(25)11-6-2-3-8-13(11)27-15-10-14(18(19,20)21)23-16(24-15)12-7-4-5-9-22-12/h2-10H,1H3
InChIKeyFMPBOTNGJTZASP-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.14
Rot. Bonds4

About methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate

methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate (PubChem CID 1478443) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
PubChem CID1478443
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Namemethyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
SMILESCOC(=O)c1ccccc1Oc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H12F3N3O3/c1-26-17(25)11-6-2-3-8-13(11)27-15-10-14(18(19,20)21)23-16(24-15)12-7-4-5-9-22-12/h2-10H,1H3
InChIKeyFMPBOTNGJTZASP-UHFFFAOYSA-N
XLogP4.14
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The IUPAC name of methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate (CID 1478443) is methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate.
What is the SMILES notation for methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The canonical SMILES for methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate is COC(=O)c1ccccc1Oc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
The InChIKey is FMPBOTNGJTZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c1-26-17(25)11-6-2-3-8-13(11)27-15-10-14(18(19,20)21)23-16(24-15)12-7-4-5-9-22-12/h2-10H,1H3.
What are the key properties of methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate?
methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate has a molecular weight of 375.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate is sourced from PubChem (CID 1478443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).