[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

C12H11F2N3S — CID 62465416

IUPAC[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3S/c13-9-3-4-11(10(14)6-9)18-7-8-2-1-5-16-12(8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyWMGOJMTZOOJJPQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.94
Rot. Bonds4

About [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 62465416) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID62465416
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C12H11F2N3S/c13-9-3-4-11(10(14)6-9)18-7-8-2-1-5-16-12(8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyWMGOJMTZOOJJPQ-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.94
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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Related Compounds

3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
CID 62466321
[3-(propan-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62464001
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
CID 52520219
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62464174
[3-[(4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465552
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-5-fluoroaniline
CID 62470374
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (CID 62465416) is [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is NNc1ncccc1CSc1ccc(F)cc1F.
What is the InChIKey of [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is WMGOJMTZOOJJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c13-9-3-4-11(10(14)6-9)18-7-8-2-1-5-16-12(8)17-15/h1-6H,7,15H2,(H,16,17).
What are the key properties of [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 267.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62465416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).