6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid

C8H7ClF3N3O3 — CID 175917938

IUPAC6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C6H6ClN3O.C2HF3O2/c1-8-6(11)4-2-3-5(7)10-9-4;3-2(4,5)1(6)7/h2-3H,1H3,(H,8,11);(H,6,7)/i1D3;
InChIKeyQPASOSNIVGOJEW-NIIDSAIPSA-N
MW288.63 g/mol
LogP1.12
Rot. Bonds2

About 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid

6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175917938) has the molecular formula C8H7ClF3N3O3 and a molecular weight of 288.63 g/mol. Its IUPAC name is 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175917938
Molecular FormulaC8H7ClF3N3O3
Molecular Weight288.63 g/mol
Exact Mass288.03
IUPAC Name6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C6H6ClN3O.C2HF3O2/c1-8-6(11)4-2-3-5(7)10-9-4;3-2(4,5)1(6)7/h2-3H,1H3,(H,8,11);(H,6,7)/i1D3;
InChIKeyQPASOSNIVGOJEW-NIIDSAIPSA-N
XLogP1.12
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.63
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 175917938) is 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[2H]C([2H])([2H])NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QPASOSNIVGOJEW-NIIDSAIPSA-N. The full InChI is InChI=1S/C6H6ClN3O.C2HF3O2/c1-8-6(11)4-2-3-5(7)10-9-4;3-2(4,5)1(6)7/h2-3H,1H3,(H,8,11);(H,6,7)/i1D3;.
What are the key properties of 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 288.63 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175917938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).