3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide

C13H9Cl2N3O3 — CID 103609811

IUPAC3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-11-6-8(12(15)18-17-11)13(19)16-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5-6H,3-4H2,(H,16,19)
InChIKeyHVACYVRDOONVNL-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.81
Rot. Bonds2

About 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide

3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide (PubChem CID 103609811) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
PubChem CID103609811
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-11-6-8(12(15)18-17-11)13(19)16-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5-6H,3-4H2,(H,16,19)
InChIKeyHVACYVRDOONVNL-UHFFFAOYSA-N
XLogP2.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
N-(4-bromophenyl)-3,6-dichloropyridazine-4-carboxamide
CID 13456211
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
3,6-dichloro-N-(3-methylphenyl)pyridazine-4-carboxamide
CID 13456213
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
CID 114917851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 695351
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide (CID 103609811) is 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide?
The InChIKey is HVACYVRDOONVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-11-6-8(12(15)18-17-11)13(19)16-7-1-2-9-10(5-7)21-4-3-20-9/h1-2,5-6H,3-4H2,(H,16,19).
What are the key properties of 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide has a molecular weight of 326.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 103609811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).