3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide

C12H10FN3O — CID 145282408

IUPAC3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1-c1cccnn1
InChIInChI=1S/C12H10FN3O/c1-7-9(11-3-2-4-15-16-11)5-8(12(14)17)6-10(7)13/h2-6H,1H3,(H2,14,17)
InChIKeyUSCUGGGAYSZTDC-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.69
Rot. Bonds2

About 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide

3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide (PubChem CID 145282408) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
PubChem CID145282408
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1-c1cccnn1
InChIInChI=1S/C12H10FN3O/c1-7-9(11-3-2-4-15-16-11)5-8(12(14)17)6-10(7)13/h2-6H,1H3,(H2,14,17)
InChIKeyUSCUGGGAYSZTDC-UHFFFAOYSA-N
XLogP1.69
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide 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 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide?
The IUPAC name of 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide (CID 145282408) is 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide is Cc1c(F)cc(C(N)=O)cc1-c1cccnn1.
What is the InChIKey of 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide?
The InChIKey is USCUGGGAYSZTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-7-9(11-3-2-4-15-16-11)5-8(12(14)17)6-10(7)13/h2-6H,1H3,(H2,14,17).
What are the key properties of 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide?
3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide has a molecular weight of 231.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide is sourced from PubChem (CID 145282408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).