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

C12H10FNOS — CID 106520915

IUPAC2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
SMILESCOc1ccc(-c2cc(=S)cc[nH]2)c(F)c1
InChIInChI=1S/C12H10FNOS/c1-15-8-2-3-10(11(13)6-8)12-7-9(16)4-5-14-12/h2-7H,1H3,(H,14,16)
InChIKeyCMXXSPIRZFFVTN-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.56
Rot. Bonds2

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

2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione (PubChem CID 106520915) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
PubChem CID106520915
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
SMILESCOc1ccc(-c2cc(=S)cc[nH]2)c(F)c1
InChIInChI=1S/C12H10FNOS/c1-15-8-2-3-10(11(13)6-8)12-7-9(16)4-5-14-12/h2-7H,1H3,(H,14,16)
InChIKeyCMXXSPIRZFFVTN-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

6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913
6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 106520926
2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
CID 106521614
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4-(2-fluoro-4-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520950
4-(2-fluoro-5-methoxyphenyl)-1H-pyridin-2-one
CID 53217805
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
CID 167495412
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione (CID 106520915) is 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione is COc1ccc(-c2cc(=S)cc[nH]2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione?
The InChIKey is CMXXSPIRZFFVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-15-8-2-3-10(11(13)6-8)12-7-9(16)4-5-14-12/h2-7H,1H3,(H,14,16).
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione?
2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-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 2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione is sourced from PubChem (CID 106520915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).