2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine

C15H10F4N4OS — CID 133370858

IUPAC2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
SMILESCOc1ccccc1-c1nnc(Sc2c(F)c(F)nc(F)c2F)n1C
InChIInChI=1S/C15H10F4N4OS/c1-23-14(7-5-3-4-6-8(7)24-2)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-6H,1-2H3
InChIKeyMASAKULBHJNFPH-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.59
Rot. Bonds4

About 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine

2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine (PubChem CID 133370858) has the molecular formula C15H10F4N4OS and a molecular weight of 370.33 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
PubChem CID133370858
Molecular FormulaC15H10F4N4OS
Molecular Weight370.33 g/mol
Exact Mass370.05
IUPAC Name2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
SMILESCOc1ccccc1-c1nnc(Sc2c(F)c(F)nc(F)c2F)n1C
InChIInChI=1S/C15H10F4N4OS/c1-23-14(7-5-3-4-6-8(7)24-2)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-6H,1-2H3
InChIKeyMASAKULBHJNFPH-UHFFFAOYSA-N
XLogP3.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 133370833
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 78840255
4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
CID 110931380
(2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7897332
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 2089777
3-(2-methoxyphenyl)-4-methyl-5-(4-methyl-2-nitrophenyl)sulfanyl-1,2,4-triazole
CID 133413742
1-(2-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078961
1-(4-fluorophenyl)-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
CID 18078943
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7875467
N-[(2-fluorophenyl)methyl]-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9341206
N-ethyl-N-(4-fluorophenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7489091
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 7515663

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine (CID 133370858) is 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine is COc1ccccc1-c1nnc(Sc2c(F)c(F)nc(F)c2F)n1C.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine?
The InChIKey is MASAKULBHJNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4OS/c1-23-14(7-5-3-4-6-8(7)24-2)21-22-15(23)25-11-9(16)12(18)20-13(19)10(11)17/h3-6H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine?
2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine has a molecular weight of 370.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine is sourced from PubChem (CID 133370858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).