1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

C11H7Cl2N3O3 — CID 54682642

IUPAC1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-2-7(6(13)3-5)16-9(18)4-8(17)10(15-16)11(14)19/h1-4,17H,(H2,14,19)
InChIKeySIQWFHRCYOEDLH-UHFFFAOYSA-N
MW300.10 g/mol
LogP1.34
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide

1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (PubChem CID 54682642) has the molecular formula C11H7Cl2N3O3 and a molecular weight of 300.10 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
PubChem CID54682642
Molecular FormulaC11H7Cl2N3O3
Molecular Weight300.10 g/mol
Exact Mass298.99
IUPAC Name1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O
InChIInChI=1S/C11H7Cl2N3O3/c12-5-1-2-7(6(13)3-5)16-9(18)4-8(17)10(15-16)11(14)19/h1-4,17H,(H2,14,19)
InChIKeySIQWFHRCYOEDLH-UHFFFAOYSA-N
XLogP1.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide (CID 54682642) is 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
The InChIKey is SIQWFHRCYOEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3/c12-5-1-2-7(6(13)3-5)16-9(18)4-8(17)10(15-16)11(14)19/h1-4,17H,(H2,14,19).
What are the key properties of 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide?
1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide has a molecular weight of 300.10 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 54682642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).