2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid

C12H9FN2O2 — CID 175494447

IUPAC2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccnnc2)cc1CF
InChIInChI=1S/C12H9FN2O2/c13-6-10-5-8(1-2-11(10)12(16)17)9-3-4-14-15-7-9/h1-5,7H,6H2,(H,16,17)
InChIKeyMSOYCTHOKPNYFI-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.31
Rot. Bonds3

About 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid

2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid (PubChem CID 175494447) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid
PubChem CID175494447
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccnnc2)cc1CF
InChIInChI=1S/C12H9FN2O2/c13-6-10-5-8(1-2-11(10)12(16)17)9-3-4-14-15-7-9/h1-5,7H,6H2,(H,16,17)
InChIKeyMSOYCTHOKPNYFI-UHFFFAOYSA-N
XLogP2.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(hydroxy-pyridazin-4-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one
CID 10729611
6-Phenylpyridazine-4-carboxylic acid
CID 75355577
5-(2-Fluorobenzoyl)pyridazine-4-carboxylic acid
CID 12958912
4-(2',5'-Difluorobenzoyl)pyridazine-5-carboxylic acid
CID 10400556
6-[3-(Trifluoromethyl)phenyl]-4-pyridazinecarboxylic acid
CID 15275306
2-Amino-5-pyridazin-3-yl-4-trifluoromethyl-benzoic acid
CID 58532846
4-Methyl-3-(1-(1,1,1-trifluoropropan-2-yl)phthalazin-6-yl)benzoic acid
CID 66675461
4-Methyl-3-[1-(1,1,3-trifluoropropan-2-yl)phthalazin-6-yl]benzoic acid
CID 66675911
Ethyl 2-pyridazin-4-yl-4-(trifluoromethyl)benzoate
CID 68042663
3-[1-(1,1-Difluoropropan-2-yl)phthalazin-6-yl]-4-methylbenzoic acid
CID 68852872
3-[(4-Fluorophenyl)methyl]pyridazine-4-carboxylic acid
CID 90174594
6-(4-Fluorophenyl)pyridazine-4-carboxylic acid
CID 117127240

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid?
The IUPAC name of 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid (CID 175494447) is 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid.
What is the SMILES notation for 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid?
The canonical SMILES for 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid is O=C(O)c1ccc(-c2ccnnc2)cc1CF.
What is the InChIKey of 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid?
The InChIKey is MSOYCTHOKPNYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-6-10-5-8(1-2-11(10)12(16)17)9-3-4-14-15-7-9/h1-5,7H,6H2,(H,16,17).
What are the key properties of 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid?
2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid has a molecular weight of 232.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-pyridazin-4-ylbenzoic acid is sourced from PubChem (CID 175494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).