6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide

C13H12ClN3O2 — CID 61052789

IUPAC6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)nn2)c(C)c1O
InChIInChI=1S/C13H12ClN3O2/c1-7-3-4-9(8(2)12(7)18)15-13(19)10-5-6-11(14)17-16-10/h3-6,18H,1-2H3,(H,15,19)
InChIKeyNLCDRJDYSIPIRO-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.70
Rot. Bonds2

About 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide

6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 61052789) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID61052789
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)nn2)c(C)c1O
InChIInChI=1S/C13H12ClN3O2/c1-7-3-4-9(8(2)12(7)18)15-13(19)10-5-6-11(14)17-16-10/h3-6,18H,1-2H3,(H,15,19)
InChIKeyNLCDRJDYSIPIRO-UHFFFAOYSA-N
XLogP2.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide (CID 61052789) is 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(Cl)nn2)c(C)c1O.
What is the InChIKey of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is NLCDRJDYSIPIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-3-4-9(8(2)12(7)18)15-13(19)10-5-6-11(14)17-16-10/h3-6,18H,1-2H3,(H,15,19).
What are the key properties of 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide?
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61052789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).