2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride

C13H16Cl2N2 — CID 19261661

IUPAC2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride
SMILESCc1cccc(Cc2cccc(C)[nH+]2)[nH+]1.[Cl-].[Cl-]
InChIInChI=1S/C13H14N2.2ClH/c1-10-5-3-7-12(14-10)9-13-8-4-6-11(2)15-13;;/h3-8H,9H2,1-2H3;2*1H
InChIKeyXRVYJMAKKMLBRJ-UHFFFAOYSA-N
MW271.19 g/mol
LogP-4.47
Rot. Bonds2

About 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride

2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride (PubChem CID 19261661) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride.

Molecular Properties

Compound Name2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride
PubChem CID19261661
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride
SMILESCc1cccc(Cc2cccc(C)[nH+]2)[nH+]1.[Cl-].[Cl-]
InChIInChI=1S/C13H14N2.2ClH/c1-10-5-3-7-12(14-10)9-13-8-4-6-11(2)15-13;;/h3-8H,9H2,1-2H3;2*1H
InChIKeyXRVYJMAKKMLBRJ-UHFFFAOYSA-N
XLogP-4.47
TPSA28.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride?
The IUPAC name of 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride (CID 19261661) is 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride.
What is the SMILES notation for 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride?
The canonical SMILES for 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride is Cc1cccc(Cc2cccc(C)[nH+]2)[nH+]1.[Cl-].[Cl-].
What is the InChIKey of 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride?
The InChIKey is XRVYJMAKKMLBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.2ClH/c1-10-5-3-7-12(14-10)9-13-8-4-6-11(2)15-13;;/h3-8H,9H2,1-2H3;2*1H.
What are the key properties of 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride?
2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride has a molecular weight of 271.19 g/mol, XLogP of -4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methylpyridin-1-ium-2-yl)methyl]pyridin-1-ium dichloride is sourced from PubChem (CID 19261661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).