6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide

C11H6Cl2IN3O — CID 61052994

IUPAC6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2IN3O/c12-7-5-6(14)1-2-8(7)15-11(18)9-3-4-10(13)17-16-9/h1-5H,(H,15,18)
InChIKeyCCZKQSSEKSSTMQ-UHFFFAOYSA-N
MW394.00 g/mol
LogP3.64
Rot. Bonds2

About 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide

6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide (PubChem CID 61052994) has the molecular formula C11H6Cl2IN3O and a molecular weight of 394.00 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
PubChem CID61052994
Molecular FormulaC11H6Cl2IN3O
Molecular Weight394.00 g/mol
Exact Mass392.89
IUPAC Name6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)nn1
InChIInChI=1S/C11H6Cl2IN3O/c12-7-5-6(14)1-2-8(7)15-11(18)9-3-4-10(13)17-16-9/h1-5H,(H,15,18)
InChIKeyCCZKQSSEKSSTMQ-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107606112
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
6-chloro-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 54927074
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
6-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 60859836
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
4-[(2-chloro-4-iodophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107605941
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide (CID 61052994) is 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide?
The InChIKey is CCZKQSSEKSSTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2IN3O/c12-7-5-6(14)1-2-8(7)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-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide?
6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide has a molecular weight of 394.00 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-4-iodophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61052994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).