3H-pyridin-2-imine

C5H6N2 — CID 51030079

IUPAC3H-pyridin-2-imine
SMILES[H]/N=C1\CC=CC=N1
InChIInChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-2,4,6H,3H2/b6-5+
InChIKeyNKCRENNPBCRMPZ-AATRIKPKSA-N
MW94.12 g/mol
LogP0.99
Rot. Bonds

About 3H-pyridin-2-imine

3H-pyridin-2-imine (PubChem CID 51030079) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 3H-pyridin-2-imine.

Molecular Properties

Compound Name3H-pyridin-2-imine
PubChem CID51030079
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name3H-pyridin-2-imine
SMILES[H]/N=C1\CC=CC=N1
InChIInChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-2,4,6H,3H2/b6-5+
InChIKeyNKCRENNPBCRMPZ-AATRIKPKSA-N
XLogP0.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
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 ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bis(imino)pyridine
CID 21972427
3-fluoro-3H-pyridin-6-imine
CID 146674689
Iron(2+);pyridine-2,3-diimine
CID 22134474
Cobalt(2+);pyridine-2,3-diimine
CID 22244856
Pyridine-2,5-diimine
CID 54293695
Iron;pyridine-2,3-diimine
CID 66847494
Cobalt;pyridine-2,3-diimine
CID 69583641
3-Methylidenepyridin-2-imine
CID 85854295
iron;4H-pyridin-4-ide-2,3-diimine
CID 87774812
(3Z)-3-ethylidenepyridin-2-imine
CID 89254996
N-[(Z)-hex-3-enylidene]methanimidamide
CID 89283748
3H-pyridin-3-ylium-6-ylideneazanide
CID 102589582

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-2-imine?
The IUPAC name of 3H-pyridin-2-imine (CID 51030079) is 3H-pyridin-2-imine.
What is the SMILES notation for 3H-pyridin-2-imine?
The canonical SMILES for 3H-pyridin-2-imine is [H]/N=C1\CC=CC=N1.
What is the InChIKey of 3H-pyridin-2-imine?
The InChIKey is NKCRENNPBCRMPZ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-2,4,6H,3H2/b6-5+.
What are the key properties of 3H-pyridin-2-imine?
3H-pyridin-2-imine has a molecular weight of 94.12 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-2-imine is sourced from PubChem (CID 51030079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).