[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

C12H11ClFN3S — CID 62887040

IUPAC[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3S/c13-10-5-6-12(17-15)16-11(10)7-18-9-3-1-8(14)2-4-9/h1-6H,7,15H2,(H,16,17)
InChIKeyCIBWFTBOUVMATC-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.45
Rot. Bonds4

About [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 62887040) has the molecular formula C12H11ClFN3S and a molecular weight of 283.76 g/mol. Its IUPAC name is [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID62887040
Molecular FormulaC12H11ClFN3S
Molecular Weight283.76 g/mol
Exact Mass283.03
IUPAC Name[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C12H11ClFN3S/c13-10-5-6-12(17-15)16-11(10)7-18-9-3-1-8(14)2-4-9/h1-6H,7,15H2,(H,16,17)
InChIKeyCIBWFTBOUVMATC-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (CID 62887040) is [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(CSc2ccc(F)cc2)n1.
What is the InChIKey of [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is CIBWFTBOUVMATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3S/c13-10-5-6-12(17-15)16-11(10)7-18-9-3-1-8(14)2-4-9/h1-6H,7,15H2,(H,16,17).
What are the key properties of [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 283.76 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62887040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).