6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide

C11H6Cl3N3O — CID 54926951

IUPAC6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-1-6(5-8(7)13)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H,15,18)
InChIKeyFBCVOWYXUWCCRQ-UHFFFAOYSA-N
MW302.55 g/mol
LogP3.69
Rot. Bonds2

About 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide

6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide (PubChem CID 54926951) has the molecular formula C11H6Cl3N3O and a molecular weight of 302.55 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
PubChem CID54926951
Molecular FormulaC11H6Cl3N3O
Molecular Weight302.55 g/mol
Exact Mass300.96
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl3N3O/c12-7-2-1-6(5-8(7)13)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H,15,18)
InChIKeyFBCVOWYXUWCCRQ-UHFFFAOYSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide (CID 54926951) is 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide?
The InChIKey is FBCVOWYXUWCCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N3O/c12-7-2-1-6(5-8(7)13)15-11(18)9-3-4-10(14)17-16-9/h1-5H,(H,15,18).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide?
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide has a molecular weight of 302.55 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54926951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).