6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione

C12H10FNOS — CID 106517322

IUPAC6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
SMILESCOc1ccc(-c2cccc(=S)[nH]2)cc1F
InChIInChI=1S/C12H10FNOS/c1-15-11-6-5-8(7-9(11)13)10-3-2-4-12(16)14-10/h2-7H,1H3,(H,14,16)
InChIKeyATPNLOYFZHBXBA-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.56
Rot. Bonds2

About 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione

6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione (PubChem CID 106517322) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
PubChem CID106517322
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione
SMILESCOc1ccc(-c2cccc(=S)[nH]2)cc1F
InChIInChI=1S/C12H10FNOS/c1-15-11-6-5-8(7-9(11)13)10-3-2-4-12(16)14-10/h2-7H,1H3,(H,14,16)
InChIKeyATPNLOYFZHBXBA-UHFFFAOYSA-N
XLogP3.56
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.56
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

4-amino-6-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 82087611
3-(3-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 82083568
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
6-(4-ethoxy-3-fluorophenyl)-1H-pyridin-2-one
CID 122358370
2-(3-fluoro-4-methoxyphenyl)-8-methyl-1H-imidazo[1,2-a]pyridin-4-ium
CID 4744505
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106514338
4-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 113299972
(3-fluoro-4-methoxyphenyl)phosphane
CID 89093629

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione (CID 106517322) is 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione is COc1ccc(-c2cccc(=S)[nH]2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione?
The InChIKey is ATPNLOYFZHBXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-15-11-6-5-8(7-9(11)13)10-3-2-4-12(16)14-10/h2-7H,1H3,(H,14,16).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione?
6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione has a molecular weight of 235.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106517322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).