4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione

C6H3F3INS — CID 131171307

IUPAC4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1c[nH]c(=S)cc1I
InChIInChI=1S/C6H3F3INS/c7-6(8,9)3-2-11-5(12)1-4(3)10/h1-2H,(H,11,12)
InChIKeyZTZNOHYVDDKKSY-UHFFFAOYSA-N
MW305.06 g/mol
LogP3.37
Rot. Bonds

About 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione

4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 131171307) has the molecular formula C6H3F3INS and a molecular weight of 305.06 g/mol. Its IUPAC name is 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID131171307
Molecular FormulaC6H3F3INS
Molecular Weight305.06 g/mol
Exact Mass304.90
IUPAC Name4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1c[nH]c(=S)cc1I
InChIInChI=1S/C6H3F3INS/c7-6(8,9)3-2-11-5(12)1-4(3)10/h1-2H,(H,11,12)
InChIKeyZTZNOHYVDDKKSY-UHFFFAOYSA-N
XLogP3.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.06
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 130883611
5-fluoro-4-iodo-1H-pyridine-2-thione
CID 130867116
2-fluoro-5-(trifluoromethyl)-1H-pyridine-4-thione
CID 131168184
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 176690632
3,4-bis(trifluoromethyl)-1H-pyridine-2-thione
CID 133095140
3-fluoro-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 90975732
3-bromo-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 131191094
2,3-dimethyl-4-(trifluoromethyl)-1H-pyrrole
CID 143804789
1,3,5-triiodo-2-(trifluoromethyl)benzene
CID 54176960
1-iodo-4-(trifluoromethoxy)-2,5-bis(trifluoromethyl)benzene
CID 118847326
3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione
CID 130864883
1-[2-fluoro-5-iodo-4-(trifluoromethyl)phenyl]ethanone
CID 131350923

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione (CID 131171307) is 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1c[nH]c(=S)cc1I.
What is the InChIKey of 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is ZTZNOHYVDDKKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INS/c7-6(8,9)3-2-11-5(12)1-4(3)10/h1-2H,(H,11,12).
What are the key properties of 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione?
4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 305.06 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 131171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).