2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile

C13H8F3N3 — CID 15264928

IUPAC2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(c1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)10-4-1-3-9(7-10)11(8-17)12-5-2-6-18-19-12/h1-7,11H
InChIKeyALMDOPAJHZYWPD-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.15
Rot. Bonds2

About 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile

2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 15264928) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
PubChem CID15264928
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(c1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)10-4-1-3-9(7-10)11(8-17)12-5-2-6-18-19-12/h1-7,11H
InChIKeyALMDOPAJHZYWPD-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile (CID 15264928) is 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile is N#CC(c1cccc(C(F)(F)F)c1)c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is ALMDOPAJHZYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)10-4-1-3-9(7-10)11(8-17)12-5-2-6-18-19-12/h1-7,11H.
What are the key properties of 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile?
2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 15264928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).