2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione

C11H10N2OS — CID 106516047

IUPAC2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
SMILESCOc1ccc(-c2cc(=S)cc[nH]2)cn1
InChIInChI=1S/C11H10N2OS/c1-14-11-3-2-8(7-13-11)10-6-9(15)4-5-12-10/h2-7H,1H3,(H,12,15)
InChIKeyFDESVVCNYTVOGO-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.81
Rot. Bonds2

About 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione

2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione (PubChem CID 106516047) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
PubChem CID106516047
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
SMILESCOc1ccc(-c2cc(=S)cc[nH]2)cn1
InChIInChI=1S/C11H10N2OS/c1-14-11-3-2-8(7-13-11)10-6-9(15)4-5-12-10/h2-7H,1H3,(H,12,15)
InChIKeyFDESVVCNYTVOGO-UHFFFAOYSA-N
XLogP2.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
CID 106516084
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
2-methoxy-4-(6-methoxy-3-pyridinyl)-N-methylaniline
CID 170114993
5-(4-tert-butylphenyl)-2-methoxypyridine
CID 67097821
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
CID 59248881
CID 59248881
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029981
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 90390971
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
CID 72846544

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione (CID 106516047) is 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione is COc1ccc(-c2cc(=S)cc[nH]2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione?
The InChIKey is FDESVVCNYTVOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-14-11-3-2-8(7-13-11)10-6-9(15)4-5-12-10/h2-7H,1H3,(H,12,15).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione?
2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione has a molecular weight of 218.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione is sourced from PubChem (CID 106516047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).