3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine

C15H9F3N4 — CID 10040566

IUPAC3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine
SMILESFC(F)(F)c1nccc(-c2cnnc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H9F3N4/c16-15(17,18)14-19-7-6-12(21-14)11-8-13(22-20-9-11)10-4-2-1-3-5-10/h1-9H
InChIKeyOYNOBNYWMQWSSF-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.62
Rot. Bonds2

About 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine

3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine (PubChem CID 10040566) has the molecular formula C15H9F3N4 and a molecular weight of 302.26 g/mol. Its IUPAC name is 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine.

Molecular Properties

Compound Name3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine
PubChem CID10040566
Molecular FormulaC15H9F3N4
Molecular Weight302.26 g/mol
Exact Mass302.08
IUPAC Name3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine
SMILESFC(F)(F)c1nccc(-c2cnnc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H9F3N4/c16-15(17,18)14-19-7-6-12(21-14)11-8-13(22-20-9-11)10-4-2-1-3-5-10/h1-9H
InChIKeyOYNOBNYWMQWSSF-UHFFFAOYSA-N
XLogP3.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine?
The IUPAC name of 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine (CID 10040566) is 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine.
What is the SMILES notation for 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine?
The canonical SMILES for 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine is FC(F)(F)c1nccc(-c2cnnc(-c3ccccc3)c2)n1.
What is the InChIKey of 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine?
The InChIKey is OYNOBNYWMQWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4/c16-15(17,18)14-19-7-6-12(21-14)11-8-13(22-20-9-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine?
3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine has a molecular weight of 302.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[2-(trifluoromethyl)pyrimidin-4-yl]pyridazine is sourced from PubChem (CID 10040566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).