N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide

C13H11Cl2N3OS — CID 2810930

IUPACN'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c1-20-13-9(3-2-6-16-13)12(19)18-17-11-7-8(14)4-5-10(11)15/h2-7,17H,1H3,(H,18,19)
InChIKeyNXAFAVTZLWXGJT-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.87
Rot. Bonds4

About N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide

N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide (PubChem CID 2810930) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide
PubChem CID2810930
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC NameN'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NNc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c1-20-13-9(3-2-6-16-13)12(19)18-17-11-7-8(14)4-5-10(11)15/h2-7,17H,1H3,(H,18,19)
InChIKeyNXAFAVTZLWXGJT-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide (CID 2810930) is N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide is CSc1ncccc1C(=O)NNc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide?
The InChIKey is NXAFAVTZLWXGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-20-13-9(3-2-6-16-13)12(19)18-17-11-7-8(14)4-5-10(11)15/h2-7,17H,1H3,(H,18,19).
What are the key properties of N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide?
N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide has a molecular weight of 328.22 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-2-methylsulfanylpyridine-3-carbohydrazide is sourced from PubChem (CID 2810930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).