2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid

C13H11F3N2O3 — CID 118871559

IUPAC2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(C(F)(F)F)cc2)CCC1=O
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)9-3-1-8(2-4-9)10-5-6-11(19)18(17-10)7-12(20)21/h1-4H,5-7H2,(H,20,21)
InChIKeyNGUBEIAFIMNHRV-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.12
Rot. Bonds3

About 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid

2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid (PubChem CID 118871559) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid
PubChem CID118871559
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(C(F)(F)F)cc2)CCC1=O
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)9-3-1-8(2-4-9)10-5-6-11(19)18(17-10)7-12(20)21/h1-4H,5-7H2,(H,20,21)
InChIKeyNGUBEIAFIMNHRV-UHFFFAOYSA-N
XLogP2.12
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid?
The IUPAC name of 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid (CID 118871559) is 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid is O=C(O)CN1N=C(c2ccc(C(F)(F)F)cc2)CCC1=O.
What is the InChIKey of 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid?
The InChIKey is NGUBEIAFIMNHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)9-3-1-8(2-4-9)10-5-6-11(19)18(17-10)7-12(20)21/h1-4H,5-7H2,(H,20,21).
What are the key properties of 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid?
2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid has a molecular weight of 300.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-[4-(trifluoromethyl)phenyl]-4,5-dihydropyridazin-1-yl]acetic acid is sourced from PubChem (CID 118871559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).