4H-pyridin-3-imine

C5H6N2 — CID 21297587

IUPAC4H-pyridin-3-imine
SMILES[H]/N=C1/C=NC=CC1
InChIInChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1,3-4,6H,2H2/b6-5+
InChIKeyLOUOQIIAIGULBA-AATRIKPKSA-N
MW94.12 g/mol
LogP0.99
Rot. Bonds

About 4H-pyridin-3-imine

4H-pyridin-3-imine (PubChem CID 21297587) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 4H-pyridin-3-imine.

Molecular Properties

Compound Name4H-pyridin-3-imine
PubChem CID21297587
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name4H-pyridin-3-imine
SMILES[H]/N=C1/C=NC=CC1
InChIInChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1,3-4,6H,2H2/b6-5+
InChIKeyLOUOQIIAIGULBA-AATRIKPKSA-N
XLogP0.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4H-pyridin-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dihydropyridine
CID 14550603
4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrol-3-imine
CID 90911343
4-fluoro-3H-pyridin-4-amine
CID 150883510
3-diazo-4H-pyridine
CID 123840381
Bis(imino)pyridyl aluminum hydride
CID 156024930
2,4-Difluoropyridin-3(4H)-imine
CID 92133580
(4R)-2,4-difluoro-4H-pyridin-3-imine
CID 125183569
(4S)-2,4-difluoro-4H-pyridin-3-imine
CID 125183570
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378

Frequently Asked Questions

What is the IUPAC name of 4H-pyridin-3-imine?
The IUPAC name of 4H-pyridin-3-imine (CID 21297587) is 4H-pyridin-3-imine.
What is the SMILES notation for 4H-pyridin-3-imine?
The canonical SMILES for 4H-pyridin-3-imine is [H]/N=C1/C=NC=CC1.
What is the InChIKey of 4H-pyridin-3-imine?
The InChIKey is LOUOQIIAIGULBA-AATRIKPKSA-N. The full InChI is InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1,3-4,6H,2H2/b6-5+.
What are the key properties of 4H-pyridin-3-imine?
4H-pyridin-3-imine has a molecular weight of 94.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyridin-3-imine is sourced from PubChem (CID 21297587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).