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

C6H8N2 — CID 131863961

IUPAC3-methyl-3H-pyridin-4-imine
SMILES[H]/N=C1\C=CN=CC1C
InChIInChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-5,7H,1H3/b7-6+
InChIKeySJLYMYZTTOBPFD-VOTSOKGWSA-N
MW108.14 g/mol
LogP1.24
Rot. Bonds

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

3-methyl-3H-pyridin-4-imine (PubChem CID 131863961) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3-methyl-3H-pyridin-4-imine.

Molecular Properties

Compound Name3-methyl-3H-pyridin-4-imine
PubChem CID131863961
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3-methyl-3H-pyridin-4-imine
SMILES[H]/N=C1\C=CN=CC1C
InChIInChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-5,7H,1H3/b7-6+
InChIKeySJLYMYZTTOBPFD-VOTSOKGWSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 3-methyl-3H-pyridin-4-imine?
The IUPAC name of 3-methyl-3H-pyridin-4-imine (CID 131863961) is 3-methyl-3H-pyridin-4-imine.
What is the SMILES notation for 3-methyl-3H-pyridin-4-imine?
The canonical SMILES for 3-methyl-3H-pyridin-4-imine is [H]/N=C1\C=CN=CC1C.
What is the InChIKey of 3-methyl-3H-pyridin-4-imine?
The InChIKey is SJLYMYZTTOBPFD-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-5,7H,1H3/b7-6+.
What are the key properties of 3-methyl-3H-pyridin-4-imine?
3-methyl-3H-pyridin-4-imine has a molecular weight of 108.14 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyridin-4-imine is sourced from PubChem (CID 131863961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).