1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium

C13H13N2+ — CID 51062057

IUPAC1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium
SMILESC[n+]1ccccc1/C=C\c1ccccn1
InChIInChI=1S/C13H13N2/c1-15-11-5-3-7-13(15)9-8-12-6-2-4-10-14-12/h2-11H,1H3/q+1/b9-8-
InChIKeyXMMQPFYKCUZURZ-HJWRWDBZSA-N
MW197.26 g/mol
LogP2.08
Rot. Bonds2

About 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium

1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium (PubChem CID 51062057) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium
PubChem CID51062057
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Name1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium
SMILESC[n+]1ccccc1/C=C\c1ccccn1
InChIInChI=1S/C13H13N2/c1-15-11-5-3-7-13(15)9-8-12-6-2-4-10-14-12/h2-11H,1H3/q+1/b9-8-
InChIKeyXMMQPFYKCUZURZ-HJWRWDBZSA-N
XLogP2.08
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium?
The IUPAC name of 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium (CID 51062057) is 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium?
The canonical SMILES for 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium is C[n+]1ccccc1/C=C\c1ccccn1.
What is the InChIKey of 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium?
The InChIKey is XMMQPFYKCUZURZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H13N2/c1-15-11-5-3-7-13(15)9-8-12-6-2-4-10-14-12/h2-11H,1H3/q+1/b9-8-.
What are the key properties of 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium?
1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium has a molecular weight of 197.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-2-pyridin-2-ylethenyl]pyridin-1-ium is sourced from PubChem (CID 51062057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).