methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate

C19H14F3N3O4 — CID 162358687

IUPACmethyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2nc(OC)c(C(F)(F)F)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C19H14F3N3O4/c1-27-16-14(19(20,21)22)17(29-12-6-4-3-5-7-12)25-15(24-16)13-10-11(8-9-23-13)18(26)28-2/h3-10H,1-2H3
InChIKeyCZCKISXKOFNTKP-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.14
Rot. Bonds5

About methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate

methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate (PubChem CID 162358687) has the molecular formula C19H14F3N3O4 and a molecular weight of 405.33 g/mol. Its IUPAC name is methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
PubChem CID162358687
Molecular FormulaC19H14F3N3O4
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC Namemethyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2nc(OC)c(C(F)(F)F)c(Oc3ccccc3)n2)c1
InChIInChI=1S/C19H14F3N3O4/c1-27-16-14(19(20,21)22)17(29-12-6-4-3-5-7-12)25-15(24-16)13-10-11(8-9-23-13)18(26)28-2/h3-10H,1-2H3
InChIKeyCZCKISXKOFNTKP-UHFFFAOYSA-N
XLogP4.14
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate (CID 162358687) is methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-c2nc(OC)c(C(F)(F)F)c(Oc3ccccc3)n2)c1.
What is the InChIKey of methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate?
The InChIKey is CZCKISXKOFNTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4/c1-27-16-14(19(20,21)22)17(29-12-6-4-3-5-7-12)25-15(24-16)13-10-11(8-9-23-13)18(26)28-2/h3-10H,1-2H3.
What are the key properties of methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate?
methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate has a molecular weight of 405.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 162358687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).