1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid

C11H12F3N3O2 — CID 51063822

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(16-15-8)17-5-3-7(4-6-17)10(18)19/h1-2,7H,3-6H2,(H,18,19)
InChIKeyDAHDZOSOGWOERK-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.80
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid

1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid (PubChem CID 51063822) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
PubChem CID51063822
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(16-15-8)17-5-3-7(4-6-17)10(18)19/h1-2,7H,3-6H2,(H,18,19)
InChIKeyDAHDZOSOGWOERK-UHFFFAOYSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid (CID 51063822) is 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is DAHDZOSOGWOERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-1-2-9(16-15-8)17-5-3-7(4-6-17)10(18)19/h1-2,7H,3-6H2,(H,18,19).
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid?
1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 51063822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).