6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide

C13H11ClN4O3 — CID 103145316

IUPAC6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H11ClN4O3/c1-7-6-11(18(20)21)8(2)5-10(7)15-13(19)9-3-4-12(14)17-16-9/h3-6H,1-2H3,(H,15,19)
InChIKeyVSSLWTHTVJKBHQ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.91
Rot. Bonds3

About 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide

6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide (PubChem CID 103145316) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
PubChem CID103145316
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H11ClN4O3/c1-7-6-11(18(20)21)8(2)5-10(7)15-13(19)9-3-4-12(14)17-16-9/h3-6H,1-2H3,(H,15,19)
InChIKeyVSSLWTHTVJKBHQ-UHFFFAOYSA-N
XLogP2.91
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 115571996
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
6-chloro-N-(2-methyl-5-sulfamoylphenyl)pyridazine-3-carboxamide
CID 61052794
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678
5-chloro-N-(4,5-dimethyl-2-nitrophenyl)pyrazine-2-carboxamide
CID 107372032
N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103145646
6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 62185978
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide (CID 103145316) is 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide?
The InChIKey is VSSLWTHTVJKBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-6-11(18(20)21)8(2)5-10(7)15-13(19)9-3-4-12(14)17-16-9/h3-6H,1-2H3,(H,15,19).
What are the key properties of 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide?
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 103145316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).