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

C13H10F3N3O2 — CID 118008430

IUPACmethyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C(F)(F)F)nc2)ncc1C
InChIInChI=1S/C13H10F3N3O2/c1-7-4-17-10(3-9(7)11(20)21-2)8-5-18-12(19-6-8)13(14,15)16/h3-6H,1-2H3
InChIKeyOQZWREUZQUVLKY-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.65
Rot. Bonds2

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

methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate (PubChem CID 118008430) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
PubChem CID118008430
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Namemethyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2cnc(C(F)(F)F)nc2)ncc1C
InChIInChI=1S/C13H10F3N3O2/c1-7-4-17-10(3-9(7)11(20)21-2)8-5-18-12(19-6-8)13(14,15)16/h3-6H,1-2H3
InChIKeyOQZWREUZQUVLKY-UHFFFAOYSA-N
XLogP2.65
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate (CID 118008430) is methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate is COC(=O)c1cc(-c2cnc(C(F)(F)F)nc2)ncc1C.
What is the InChIKey of methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
The InChIKey is OQZWREUZQUVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-7-4-17-10(3-9(7)11(20)21-2)8-5-18-12(19-6-8)13(14,15)16/h3-6H,1-2H3.
What are the key properties of methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate?
methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate has a molecular weight of 297.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridine-4-carboxylate is sourced from PubChem (CID 118008430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).