3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide

C10H14ClN3OS — CID 79405258

IUPAC3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
SMILESCC(Sc1ccc(Cl)cn1)C(C)C(=O)NN
InChIInChI=1S/C10H14ClN3OS/c1-6(10(15)14-12)7(2)16-9-4-3-8(11)5-13-9/h3-7H,12H2,1-2H3,(H,14,15)
InChIKeyPJFRAASIJUQBJO-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.84
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide (PubChem CID 79405258) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
PubChem CID79405258
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
SMILESCC(Sc1ccc(Cl)cn1)C(C)C(=O)NN
InChIInChI=1S/C10H14ClN3OS/c1-6(10(15)14-12)7(2)16-9-4-3-8(11)5-13-9/h3-7H,12H2,1-2H3,(H,14,15)
InChIKeyPJFRAASIJUQBJO-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.84
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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Related Compounds

5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405680
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
CID 64560762
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
CID 79357437
3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79404719
methyl 3-(4-chlorophenyl)sulfanyl-2-methylbutanoate
CID 79392425
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64629043
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 112815636
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanoic acid
CID 64703368

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide (CID 79405258) is 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide is CC(Sc1ccc(Cl)cn1)C(C)C(=O)NN.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide?
The InChIKey is PJFRAASIJUQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-6(10(15)14-12)7(2)16-9-4-3-8(11)5-13-9/h3-7H,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide?
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide has a molecular weight of 259.76 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide is sourced from PubChem (CID 79405258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).