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

C11H8F3N3O — CID 1475334

IUPAC4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C11H8F3N3O/c1-18-9-6-8(11(12,13)14)16-10(17-9)7-4-2-3-5-15-7/h2-6H,1H3
InChIKeyOITNHPHWVYTUQK-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.57
Rot. Bonds2

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

4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1475334) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1475334
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C11H8F3N3O/c1-18-9-6-8(11(12,13)14)16-10(17-9)7-4-2-3-5-15-7/h2-6H,1H3
InChIKeyOITNHPHWVYTUQK-UHFFFAOYSA-N
XLogP2.57
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1475334) is 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OITNHPHWVYTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-18-9-6-8(11(12,13)14)16-10(17-9)7-4-2-3-5-15-7/h2-6H,1H3.
What are the key properties of 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 255.20 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1475334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).