6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide

C11H6Cl2FN3O — CID 61042452

IUPAC6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2FN3O/c12-7-2-1-6(5-8(7)14)15-11(18)9-3-4-10(13)17-16-9/h1-5H,(H,15,18)
InChIKeySVOOLTDXYFWBFP-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide

6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 61042452) has the molecular formula C11H6Cl2FN3O and a molecular weight of 286.09 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
PubChem CID61042452
Molecular FormulaC11H6Cl2FN3O
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2FN3O/c12-7-2-1-6(5-8(7)14)15-11(18)9-3-4-10(13)17-16-9/h1-5H,(H,15,18)
InChIKeySVOOLTDXYFWBFP-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide (CID 61042452) is 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is SVOOLTDXYFWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN3O/c12-7-2-1-6(5-8(7)14)15-11(18)9-3-4-10(13)17-16-9/h1-5H,(H,15,18).
What are the key properties of 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide?
6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide has a molecular weight of 286.09 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-3-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61042452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).