2-methylsulfanylpyridine-3-carbohydrazide

C7H9N3OS — CID 2760081

IUPAC2-methylsulfanylpyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NN
InChIInChI=1S/C7H9N3OS/c1-12-7-5(6(11)10-8)3-2-4-9-7/h2-4H,8H2,1H3,(H,10,11)
InChIKeyCYHNGINJLSMDNU-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.41
Rot. Bonds2

About 2-methylsulfanylpyridine-3-carbohydrazide

2-methylsulfanylpyridine-3-carbohydrazide (PubChem CID 2760081) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-methylsulfanylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-methylsulfanylpyridine-3-carbohydrazide
PubChem CID2760081
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-methylsulfanylpyridine-3-carbohydrazide
SMILESCSc1ncccc1C(=O)NN
InChIInChI=1S/C7H9N3OS/c1-12-7-5(6(11)10-8)3-2-4-9-7/h2-4H,8H2,1H3,(H,10,11)
InChIKeyCYHNGINJLSMDNU-UHFFFAOYSA-N
XLogP0.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridine-3-carbohydrazide?
The IUPAC name of 2-methylsulfanylpyridine-3-carbohydrazide (CID 2760081) is 2-methylsulfanylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-methylsulfanylpyridine-3-carbohydrazide?
The canonical SMILES for 2-methylsulfanylpyridine-3-carbohydrazide is CSc1ncccc1C(=O)NN.
What is the InChIKey of 2-methylsulfanylpyridine-3-carbohydrazide?
The InChIKey is CYHNGINJLSMDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-12-7-5(6(11)10-8)3-2-4-9-7/h2-4H,8H2,1H3,(H,10,11).
What are the key properties of 2-methylsulfanylpyridine-3-carbohydrazide?
2-methylsulfanylpyridine-3-carbohydrazide has a molecular weight of 183.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyridine-3-carbohydrazide is sourced from PubChem (CID 2760081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).