N-methyl-3-methylidenepyridin-4-imine

C7H8N2 — CID 130207751

IUPACN-methyl-3-methylidenepyridin-4-imine
SMILESC=C1C=NC=C/C1=N\C
InChIInChI=1S/C7H8N2/c1-6-5-9-4-3-7(6)8-2/h3-5H,1H2,2H3/b8-7+
InChIKeyBEBGXMFLTDLGBT-BQYQJAHWSA-N
MW120.15 g/mol
LogP1.21
Rot. Bonds

About N-methyl-3-methylidenepyridin-4-imine

N-methyl-3-methylidenepyridin-4-imine (PubChem CID 130207751) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is N-methyl-3-methylidenepyridin-4-imine.

Molecular Properties

Compound NameN-methyl-3-methylidenepyridin-4-imine
PubChem CID130207751
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC NameN-methyl-3-methylidenepyridin-4-imine
SMILESC=C1C=NC=C/C1=N\C
InChIInChI=1S/C7H8N2/c1-6-5-9-4-3-7(6)8-2/h3-5H,1H2,2H3/b8-7+
InChIKeyBEBGXMFLTDLGBT-BQYQJAHWSA-N
XLogP1.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidenepyridin-4-imine?
The IUPAC name of N-methyl-3-methylidenepyridin-4-imine (CID 130207751) is N-methyl-3-methylidenepyridin-4-imine.
What is the SMILES notation for N-methyl-3-methylidenepyridin-4-imine?
The canonical SMILES for N-methyl-3-methylidenepyridin-4-imine is C=C1C=NC=C/C1=N\C.
What is the InChIKey of N-methyl-3-methylidenepyridin-4-imine?
The InChIKey is BEBGXMFLTDLGBT-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-5-9-4-3-7(6)8-2/h3-5H,1H2,2H3/b8-7+.
What are the key properties of N-methyl-3-methylidenepyridin-4-imine?
N-methyl-3-methylidenepyridin-4-imine has a molecular weight of 120.15 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidenepyridin-4-imine is sourced from PubChem (CID 130207751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).