[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

C12H11F2N3S — CID 62464533

IUPAC[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(CSc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H11F2N3S/c13-9-1-2-10(14)11(6-9)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyNSXIYGMFTJYURS-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.94
Rot. Bonds4

About [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 62464533) has the molecular formula C12H11F2N3S and a molecular weight of 267.30 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID62464533
Molecular FormulaC12H11F2N3S
Molecular Weight267.30 g/mol
Exact Mass267.06
IUPAC Name[4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(CSc2cc(F)ccc2F)ccn1
InChIInChI=1S/C12H11F2N3S/c13-9-1-2-10(14)11(6-9)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyNSXIYGMFTJYURS-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

2-chloro-4-[(2,5-difluorophenyl)sulfanylmethyl]pyridine
CID 62045800
[4-(pyrimidin-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62463993
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
CID 79260165
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465712
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
(2-hydrazinyl-4-pyridinyl)methanol
CID 59843154
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
CID 103059921
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059924
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
CID 62046668

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (CID 62464533) is [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is NNc1cc(CSc2cc(F)ccc2F)ccn1.
What is the InChIKey of [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is NSXIYGMFTJYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3S/c13-9-1-2-10(14)11(6-9)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17).
What are the key properties of [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
[4-[(2,5-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 [4-[(2,5-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62464533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).