2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione

C10H7FN2S — CID 106521614

IUPAC2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
SMILESFc1cnccc1-c1cc(=S)cc[nH]1
InChIInChI=1S/C10H7FN2S/c11-9-6-12-3-2-8(9)10-5-7(14)1-4-13-10/h1-6H,(H,13,14)
InChIKeyMXFVBYGCZBLHJP-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.95
Rot. Bonds1

About 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione

2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione (PubChem CID 106521614) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
PubChem CID106521614
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
SMILESFc1cnccc1-c1cc(=S)cc[nH]1
InChIInChI=1S/C10H7FN2S/c11-9-6-12-3-2-8(9)10-5-7(14)1-4-13-10/h1-6H,(H,13,14)
InChIKeyMXFVBYGCZBLHJP-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
CID 106520198
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
CID 106523088
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
4-amino-3-(3-fluoro-4-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 64950878
2-tert-butyl-6-(3-fluoro-4-pyridinyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521615
6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
CID 24771250
4-(2,3-difluorophenyl)-3-fluoropyridine
CID 118801718
6-(3-methyl-4-pyridinyl)-1H-pyrazine-2-thione
CID 106518852
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
CID 104739144
4-(2,6-dichlorophenyl)-3-fluoropyridine
CID 133090517
2-quinolin-7-yl-1H-pyridine-4-thione
CID 106519741

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione (CID 106521614) is 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione is Fc1cnccc1-c1cc(=S)cc[nH]1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione?
The InChIKey is MXFVBYGCZBLHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-9-6-12-3-2-8(9)10-5-7(14)1-4-13-10/h1-6H,(H,13,14).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione?
2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione has a molecular weight of 206.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione is sourced from PubChem (CID 106521614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).