phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone

C15H9F3N2O — CID 10957210

IUPACphenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(F)(F)F)c2cccnn12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-9-13(20-12(11)7-4-8-19-20)14(21)10-5-2-1-3-6-10/h1-9H
InChIKeyFVBRQDXSKUOBTR-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.58
Rot. Bonds2

About phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone

phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone (PubChem CID 10957210) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone
PubChem CID10957210
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Namephenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone
SMILESO=C(c1ccccc1)c1cc(C(F)(F)F)c2cccnn12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-9-13(20-12(11)7-4-8-19-20)14(21)10-5-2-1-3-6-10/h1-9H
InChIKeyFVBRQDXSKUOBTR-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ibudilast
CID 3671
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
N-{[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene}hydroxylamine
CID 6904896
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
(1-Methyl-1h-indol-2-yl)(4-pyridinyl)methanone
CID 289999
7-Phenyl-1-(6-(pyridin-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951320
KC 764
CID 146826
N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024841
(3-Methylphenyl)-[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methanone
CID 162674607

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone?
The IUPAC name of phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone (CID 10957210) is phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone.
What is the SMILES notation for phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone?
The canonical SMILES for phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone is O=C(c1ccccc1)c1cc(C(F)(F)F)c2cccnn12.
What is the InChIKey of phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone?
The InChIKey is FVBRQDXSKUOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)11-9-13(20-12(11)7-4-8-19-20)14(21)10-5-2-1-3-6-10/h1-9H.
What are the key properties of phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone?
phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone has a molecular weight of 290.24 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(trifluoromethyl)pyrrolo[1,2-b]pyridazin-7-yl]methanone is sourced from PubChem (CID 10957210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).