2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine

C10HF8N3S2 — CID 171106738

IUPAC2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine
SMILESFc1nc(F)c(F)c(SNSc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C10HF8N3S2/c11-1-5(2(12)8(16)19-7(1)15)22-21-23-6-3(13)9(17)20-10(18)4(6)14/h21H
InChIKeyWNNZSCPGHUNOTR-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.89
Rot. Bonds4

About 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine

2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine (PubChem CID 171106738) has the molecular formula C10HF8N3S2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine
PubChem CID171106738
Molecular FormulaC10HF8N3S2
Molecular Weight379.26 g/mol
Exact Mass378.95
IUPAC Name2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine
SMILESFc1nc(F)c(F)c(SNSc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C10HF8N3S2/c11-1-5(2(12)8(16)19-7(1)15)22-21-23-6-3(13)9(17)20-10(18)4(6)14/h21H
InChIKeyWNNZSCPGHUNOTR-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)sulfanylamino]sulfanylbenzene
CID 144769240
2,3,5,6-tetrafluoro-4-(1,1,2,2,2-pentafluoroethylsulfanyl)pyridine
CID 14930920
tricyano-(2,3,5,6-tetrafluoro-4-pyridinyl)boranuide
CID 139050302
2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
CID 13303728
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 11615416
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)tellanyl]pyridine
CID 139100618
2-amino-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]propanoic acid
CID 22001835
3-chloro-2,5,6-trifluoro-4-[(2,4,5,6-tetrafluoro-3-pyridinyl)sulfanylmethylsulfanyl]pyridine
CID 126709818
2,3,6-trifluoro-4,5-dimethylpyridine
CID 20792086
4,5,6,7-tetrachloro-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]isoindole-1,3-dione
CID 3587841
2,3,4,6,7,8-hexafluoro-1,5-naphthyridine
CID 146262522
2,3,5,6-tetrafluoro-4-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 133371906

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine (CID 171106738) is 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine is Fc1nc(F)c(F)c(SNSc2c(F)c(F)nc(F)c2F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine?
The InChIKey is WNNZSCPGHUNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF8N3S2/c11-1-5(2(12)8(16)19-7(1)15)22-21-23-6-3(13)9(17)20-10(18)4(6)14/h21H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine?
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine has a molecular weight of 379.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanylamino]sulfanylpyridine is sourced from PubChem (CID 171106738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).