4-methylpyridine-2,3-diimine

C6H7N3 — CID 155670675

IUPAC4-methylpyridine-2,3-diimine
SMILES[H]/N=C1\N=CC=C(C)\C1=N\[H]
InChIInChI=1S/C6H7N3/c1-4-2-3-9-6(8)5(4)7/h2-3,7-8H,1H3/b7-5-,8-6-
InChIKeyLERBDKODVPEAAG-SFECMWDFSA-N
MW121.14 g/mol
LogP1.01
Rot. Bonds

About 4-methylpyridine-2,3-diimine

4-methylpyridine-2,3-diimine (PubChem CID 155670675) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-methylpyridine-2,3-diimine.

Molecular Properties

Compound Name4-methylpyridine-2,3-diimine
PubChem CID155670675
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name4-methylpyridine-2,3-diimine
SMILES[H]/N=C1\N=CC=C(C)\C1=N\[H]
InChIInChI=1S/C6H7N3/c1-4-2-3-9-6(8)5(4)7/h2-3,7-8H,1H3/b7-5-,8-6-
InChIKeyLERBDKODVPEAAG-SFECMWDFSA-N
XLogP1.01
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.01
H-Bond Donors ≤ 52
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 4-methylpyridine-2,3-diimine?
The IUPAC name of 4-methylpyridine-2,3-diimine (CID 155670675) is 4-methylpyridine-2,3-diimine.
What is the SMILES notation for 4-methylpyridine-2,3-diimine?
The canonical SMILES for 4-methylpyridine-2,3-diimine is [H]/N=C1\N=CC=C(C)\C1=N\[H].
What is the InChIKey of 4-methylpyridine-2,3-diimine?
The InChIKey is LERBDKODVPEAAG-SFECMWDFSA-N. The full InChI is InChI=1S/C6H7N3/c1-4-2-3-9-6(8)5(4)7/h2-3,7-8H,1H3/b7-5-,8-6-.
What are the key properties of 4-methylpyridine-2,3-diimine?
4-methylpyridine-2,3-diimine has a molecular weight of 121.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyridine-2,3-diimine is sourced from PubChem (CID 155670675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).