6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid

C19H10F4N2O3 — CID 69421532

IUPAC6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)cc2)nn1
InChIInChI=1S/C19H10F4N2O3/c20-12-5-6-14(19(21,22)23)13(9-12)17(26)11-3-1-10(2-4-11)15-7-8-16(18(27)28)25-24-15/h1-9H,(H,27,28)
InChIKeyLIJLJHAXALRRDE-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.23
Rot. Bonds4

About 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid

6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid (PubChem CID 69421532) has the molecular formula C19H10F4N2O3 and a molecular weight of 390.29 g/mol. Its IUPAC name is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid
PubChem CID69421532
Molecular FormulaC19H10F4N2O3
Molecular Weight390.29 g/mol
Exact Mass390.06
IUPAC Name6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)cc2)nn1
InChIInChI=1S/C19H10F4N2O3/c20-12-5-6-14(19(21,22)23)13(9-12)17(26)11-3-1-10(2-4-11)15-7-8-16(18(27)28)25-24-15/h1-9H,(H,27,28)
InChIKeyLIJLJHAXALRRDE-UHFFFAOYSA-N
XLogP4.23
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(trifluoromethyl)benzoyl]phenyl]pyridine-2-carboxylic acid
CID 69399073
3-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322334
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
[5-fluoro-2-(trifluoromethyl)phenyl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 112743931
1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
CID 125456636
6-(2,4-difluorophenyl)sulfanylpyridazine-3-carboxylic acid
CID 60792591
6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 69398290
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117
3-(4-fluorophenyl)-N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 46832118
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid (CID 69421532) is 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(-c2ccc(C(=O)c3cc(F)ccc3C(F)(F)F)cc2)nn1.
What is the InChIKey of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid?
The InChIKey is LIJLJHAXALRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O3/c20-12-5-6-14(19(21,22)23)13(9-12)17(26)11-3-1-10(2-4-11)15-7-8-16(18(27)28)25-24-15/h1-9H,(H,27,28).
What are the key properties of 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid?
6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid has a molecular weight of 390.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]phenyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 69421532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).