pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone

C12H7F3N2O — CID 15264929

IUPACpyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)9-4-1-3-8(7-9)11(18)10-5-2-6-16-17-10/h1-7H
InChIKeyKSBFVPUZIMVKOC-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.73
Rot. Bonds2

About pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone

pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 15264929) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID15264929
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Namepyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccnn1
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)9-4-1-3-8(7-9)11(18)10-5-2-6-16-17-10/h1-7H
InChIKeyKSBFVPUZIMVKOC-UHFFFAOYSA-N
XLogP2.73
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone (CID 15264929) is pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cccnn1.
What is the InChIKey of pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is KSBFVPUZIMVKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)9-4-1-3-8(7-9)11(18)10-5-2-6-16-17-10/h1-7H.
What are the key properties of pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 252.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 15264929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).