[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine

C10H16ClN3S — CID 62884947

IUPAC[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
SMILESCCCCSCc1nc(NN)ccc1Cl
InChIInChI=1S/C10H16ClN3S/c1-2-3-6-15-7-9-8(11)4-5-10(13-9)14-12/h4-5H,2-3,6-7,12H2,1H3,(H,13,14)
InChIKeyVDZIPTYXSSAIEP-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.05
Rot. Bonds6

About [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine

[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine (PubChem CID 62884947) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
PubChem CID62884947
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
SMILESCCCCSCc1nc(NN)ccc1Cl
InChIInChI=1S/C10H16ClN3S/c1-2-3-6-15-7-9-8(11)4-5-10(13-9)14-12/h4-5H,2-3,6-7,12H2,1H3,(H,13,14)
InChIKeyVDZIPTYXSSAIEP-UHFFFAOYSA-N
XLogP3.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine (CID 62884947) is [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine is CCCCSCc1nc(NN)ccc1Cl.
What is the InChIKey of [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
The InChIKey is VDZIPTYXSSAIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-2-3-6-15-7-9-8(11)4-5-10(13-9)14-12/h4-5H,2-3,6-7,12H2,1H3,(H,13,14).
What are the key properties of [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine?
[6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine has a molecular weight of 245.78 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine is sourced from PubChem (CID 62884947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).