N-methyl-2H-pyridin-3-imine

C6H8N2 — CID 70547200

IUPACN-methyl-2H-pyridin-3-imine
SMILESC/N=C1\C=CC=NC1
InChIInChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3/b7-6+
InChIKeyLUWQBGHOJXFVDQ-VOTSOKGWSA-N
MW108.14 g/mol
LogP0.70
Rot. Bonds

About N-methyl-2H-pyridin-3-imine

N-methyl-2H-pyridin-3-imine (PubChem CID 70547200) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-methyl-2H-pyridin-3-imine.

Molecular Properties

Compound NameN-methyl-2H-pyridin-3-imine
PubChem CID70547200
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-methyl-2H-pyridin-3-imine
SMILESC/N=C1\C=CC=NC1
InChIInChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3/b7-6+
InChIKeyLUWQBGHOJXFVDQ-VOTSOKGWSA-N
XLogP0.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.70
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-2H-pyridin-3-imine?
The IUPAC name of N-methyl-2H-pyridin-3-imine (CID 70547200) is N-methyl-2H-pyridin-3-imine.
What is the SMILES notation for N-methyl-2H-pyridin-3-imine?
The canonical SMILES for N-methyl-2H-pyridin-3-imine is C/N=C1\C=CC=NC1.
What is the InChIKey of N-methyl-2H-pyridin-3-imine?
The InChIKey is LUWQBGHOJXFVDQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3/b7-6+.
What are the key properties of N-methyl-2H-pyridin-3-imine?
N-methyl-2H-pyridin-3-imine has a molecular weight of 108.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-pyridin-3-imine is sourced from PubChem (CID 70547200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).