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

C6H3F3INS — CID 130864883

IUPAC3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione
SMILESFC(F)(F)c1[nH]ccc(=S)c1I
InChIInChI=1S/C6H3F3INS/c7-6(8,9)5-4(10)3(12)1-2-11-5/h1-2H,(H,11,12)
InChIKeyYCZJSUAVERYOTP-UHFFFAOYSA-N
MW305.06 g/mol
LogP3.37
Rot. Bonds

About 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione

3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione (PubChem CID 130864883) has the molecular formula C6H3F3INS and a molecular weight of 305.06 g/mol. Its IUPAC name is 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione
PubChem CID130864883
Molecular FormulaC6H3F3INS
Molecular Weight305.06 g/mol
Exact Mass304.90
IUPAC Name3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione
SMILESFC(F)(F)c1[nH]ccc(=S)c1I
InChIInChI=1S/C6H3F3INS/c7-6(8,9)5-4(10)3(12)1-2-11-5/h1-2H,(H,11,12)
InChIKeyYCZJSUAVERYOTP-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

3-fluoro-2-(trifluoromethyl)-1H-pyrrole
CID 175283071
2-methyl-3-(trifluoromethyl)-1H-pyridine-4-thione
CID 135194138
3-(bromomethyl)-2-(trifluoromethyl)-1H-pyrrole
CID 174946953
3-fluoro-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 90975732
3,4-bis(trifluoromethyl)-1H-pyridine-2-thione
CID 133095140
3-bromo-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 131191094
4-iodo-5-(trifluoromethyl)-1H-pyridine-2-thione
CID 131171307
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 69022654
5-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082731
(1R)-1-[2-(trifluoromethyl)-1H-pyrrol-3-yl]prop-2-en-1-amine
CID 130641756
3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 133092476
5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione
CID 75406426

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione?
The IUPAC name of 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione (CID 130864883) is 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione.
What is the SMILES notation for 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione?
The canonical SMILES for 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione is FC(F)(F)c1[nH]ccc(=S)c1I.
What is the InChIKey of 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione?
The InChIKey is YCZJSUAVERYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INS/c7-6(8,9)5-4(10)3(12)1-2-11-5/h1-2H,(H,11,12).
What are the key properties of 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione?
3-iodo-2-(trifluoromethyl)-1H-pyridine-4-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 3-iodo-2-(trifluoromethyl)-1H-pyridine-4-thione is sourced from PubChem (CID 130864883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).