2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride

C11H12Cl2N2S — CID 13058753

IUPAC2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(CSc2ccncc2)nc1
InChIInChI=1S/C11H10N2S.2ClH/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11;;/h1-8H,9H2;2*1H
InChIKeySQBKRUCGNDFSLK-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.61
Rot. Bonds3

About 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride

2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride (PubChem CID 13058753) has the molecular formula C11H12Cl2N2S and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
PubChem CID13058753
Molecular FormulaC11H12Cl2N2S
Molecular Weight275.20 g/mol
Exact Mass274.01
IUPAC Name2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(CSc2ccncc2)nc1
InChIInChI=1S/C11H10N2S.2ClH/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11;;/h1-8H,9H2;2*1H
InChIKeySQBKRUCGNDFSLK-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride?
The IUPAC name of 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride (CID 13058753) is 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride.
What is the SMILES notation for 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride?
The canonical SMILES for 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride is Cl.Cl.c1ccc(CSc2ccncc2)nc1.
What is the InChIKey of 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride?
The InChIKey is SQBKRUCGNDFSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S.2ClH/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11;;/h1-8H,9H2;2*1H.
What are the key properties of 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride?
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride has a molecular weight of 275.20 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride is sourced from PubChem (CID 13058753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).