2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol

C12H13N3OS — CID 62466321

IUPAC2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
SMILESNNc1ncccc1CSc1ccccc1O
InChIInChI=1S/C12H13N3OS/c13-15-12-9(4-3-7-14-12)8-17-11-6-2-1-5-10(11)16/h1-7,16H,8,13H2,(H,14,15)
InChIKeyFJMFODLENARLHV-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol

2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol (PubChem CID 62466321) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
PubChem CID62466321
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
SMILESNNc1ncccc1CSc1ccccc1O
InChIInChI=1S/C12H13N3OS/c13-15-12-9(4-3-7-14-12)8-17-11-6-2-1-5-10(11)16/h1-7,16H,8,13H2,(H,14,15)
InChIKeyFJMFODLENARLHV-UHFFFAOYSA-N
XLogP2.37
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol?
The IUPAC name of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol (CID 62466321) is 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol is NNc1ncccc1CSc1ccccc1O.
What is the InChIKey of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol?
The InChIKey is FJMFODLENARLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-15-12-9(4-3-7-14-12)8-17-11-6-2-1-5-10(11)16/h1-7,16H,8,13H2,(H,14,15).
What are the key properties of 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol?
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol is sourced from PubChem (CID 62466321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).