6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid

C18H16F3N3O3 — CID 67172316

IUPAC6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)13-4-2-1-3-12(13)16(25)11-7-9-24(10-8-11)15-6-5-14(17(26)27)22-23-15/h1-6,11H,7-10H2,(H,26,27)
InChIKeyWAWIXHGCSLBFSF-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.29
Rot. Bonds4

About 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 67172316) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID67172316
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)13-4-2-1-3-12(13)16(25)11-7-9-24(10-8-11)15-6-5-14(17(26)27)22-23-15/h1-6,11H,7-10H2,(H,26,27)
InChIKeyWAWIXHGCSLBFSF-UHFFFAOYSA-N
XLogP3.29
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172654
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
N-hydroxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 141143829
cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
5-[4-[2-(trifluoromethyl)benzoyl]cyclohexyl]pyridine-2-carboxylic acid
CID 69400274
hexanamide;6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 174505043
4-cyclopropyl-1-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158967495
N-(2,6-dichlorophenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66849746
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
N-(2,2-difluoro-2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012136
6-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850025

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid (CID 67172316) is 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is WAWIXHGCSLBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)13-4-2-1-3-12(13)16(25)11-7-9-24(10-8-11)15-6-5-14(17(26)27)22-23-15/h1-6,11H,7-10H2,(H,26,27).
What are the key properties of 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 379.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 67172316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).