4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol

C12H12ClN3OS — CID 62887050

IUPAC4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
SMILESNNc1ccc(Cl)c(CSc2ccc(O)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c13-10-5-6-12(16-14)15-11(10)7-18-9-3-1-8(17)2-4-9/h1-6,17H,7,14H2,(H,15,16)
InChIKeyVNEHHCPRUOZMMI-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.02
Rot. Bonds4

About 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol

4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol (PubChem CID 62887050) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
PubChem CID62887050
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
SMILESNNc1ccc(Cl)c(CSc2ccc(O)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c13-10-5-6-12(16-14)15-11(10)7-18-9-3-1-8(17)2-4-9/h1-6,17H,7,14H2,(H,15,16)
InChIKeyVNEHHCPRUOZMMI-UHFFFAOYSA-N
XLogP3.02
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.02
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 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol (CID 62887050) is 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol is NNc1ccc(Cl)c(CSc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The InChIKey is VNEHHCPRUOZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-10-5-6-12(16-14)15-11(10)7-18-9-3-1-8(17)2-4-9/h1-6,17H,7,14H2,(H,15,16).
What are the key properties of 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol has a molecular weight of 281.77 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol is sourced from PubChem (CID 62887050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).