4-methyl-2H-pyridin-3-imine

C6H8N2 — CID 89382802

IUPAC4-methyl-2H-pyridin-3-imine
SMILESCC1=CC=NCC1=N
InChIInChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7H,4H2,1H3
InChIKeyMELQHOVJCUNFFP-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.10
Rot. Bonds

About 4-methyl-2H-pyridin-3-imine

4-methyl-2H-pyridin-3-imine (PubChem CID 89382802) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-methyl-2H-pyridin-3-imine.

Molecular Properties

Compound Name4-methyl-2H-pyridin-3-imine
PubChem CID89382802
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4-methyl-2H-pyridin-3-imine
SMILESCC1=CC=NCC1=N
InChIInChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7H,4H2,1H3
InChIKeyMELQHOVJCUNFFP-UHFFFAOYSA-N
XLogP0.10
TPSA36.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
4,6-Dimethyl-2,3-dihydropyridine
CID 20753020
3H-pyridin-1-ium-5-ylmethanamine
CID 57056736
5-methyl-3H-pyridin-1-ium
CID 57233424
(4-methyl-2H-pyrrol-5-yl)methanamine
CID 57746114
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
5-Ethylpyridine-2,3-diimine
CID 68028389
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
2,3-Dihydropyridin-4-ylmethanamine
CID 90137212
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
3,7-dihydro-2H-pyrrolo[3,4-b]pyridine
CID 90746963

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyridin-3-imine?
The IUPAC name of 4-methyl-2H-pyridin-3-imine (CID 89382802) is 4-methyl-2H-pyridin-3-imine.
What is the SMILES notation for 4-methyl-2H-pyridin-3-imine?
The canonical SMILES for 4-methyl-2H-pyridin-3-imine is CC1=CC=NCC1=N.
What is the InChIKey of 4-methyl-2H-pyridin-3-imine?
The InChIKey is MELQHOVJCUNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-3,7H,4H2,1H3.
What are the key properties of 4-methyl-2H-pyridin-3-imine?
4-methyl-2H-pyridin-3-imine has a molecular weight of 108.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyridin-3-imine is sourced from PubChem (CID 89382802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).