1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine

C12H15N2+ — CID 102333037

IUPAC1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine
SMILESCN1C=CC(=C2C=C[N+](C)=CC2)C=C1
InChIInChI=1S/C12H15N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-5,7-10H,6H2,1-2H3/q+1
InChIKeyMKDCYGIZSQDJSP-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.89
Rot. Bonds

About 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine

1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine (PubChem CID 102333037) has the molecular formula C12H15N2+ and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine
PubChem CID102333037
Molecular FormulaC12H15N2+
Molecular Weight187.27 g/mol
Exact Mass187.12
IUPAC Name1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine
SMILESCN1C=CC(=C2C=C[N+](C)=CC2)C=C1
InChIInChI=1S/C12H15N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-5,7-10H,6H2,1-2H3/q+1
InChIKeyMKDCYGIZSQDJSP-UHFFFAOYSA-N
XLogP1.89
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.89
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-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine?
The IUPAC name of 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine (CID 102333037) is 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine.
What is the SMILES notation for 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine?
The canonical SMILES for 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine is CN1C=CC(=C2C=C[N+](C)=CC2)C=C1.
What is the InChIKey of 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine?
The InChIKey is MKDCYGIZSQDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-5,7-10H,6H2,1-2H3/q+1.
What are the key properties of 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine?
1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine has a molecular weight of 187.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-3H-pyridin-1-ium-4-ylidene)pyridine is sourced from PubChem (CID 102333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).