1-pyridin-2-ylethane-1,2-diimine

C7H7N3 — CID 174501150

IUPAC1-pyridin-2-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1ccccn1
InChIInChI=1S/C7H7N3/c8-5-6(9)7-3-1-2-4-10-7/h1-5,8-9H/b8-5+,9-6+
InChIKeyLZVYLVNWSHDPPG-XVYDYJIPSA-N
MW133.15 g/mol
LogP1.10
Rot. Bonds2

About 1-pyridin-2-ylethane-1,2-diimine

1-pyridin-2-ylethane-1,2-diimine (PubChem CID 174501150) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-pyridin-2-ylethane-1,2-diimine.

Molecular Properties

Compound Name1-pyridin-2-ylethane-1,2-diimine
PubChem CID174501150
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1-pyridin-2-ylethane-1,2-diimine
SMILES[H]/N=C(\C=N\[H])c1ccccn1
InChIInChI=1S/C7H7N3/c8-5-6(9)7-3-1-2-4-10-7/h1-5,8-9H/b8-5+,9-6+
InChIKeyLZVYLVNWSHDPPG-XVYDYJIPSA-N
XLogP1.10
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
3-hydroxy-2-methanimidoyl-3-pyridin-2-ylprop-2-enoic acid
CID 173298089
2-bromo-1-pyridin-2-ylpropane-1,3-diimine
CID 123425732
nickel;pyridin-2-ylmethanimine
CID 87871752
1-pyridin-2-ylethanethione
CID 89010255
palladium(2+);bis([N-(pyridine-2-carboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide)
CID 139149323
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
butan-1-imine;pyridine-2-carboxamide
CID 143815208
(Z)-4,4,5,5,5-pentafluoro-3-imino-1-pyridin-2-ylpent-1-en-1-amine
CID 163705086
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
CID 163838886

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethane-1,2-diimine?
The IUPAC name of 1-pyridin-2-ylethane-1,2-diimine (CID 174501150) is 1-pyridin-2-ylethane-1,2-diimine.
What is the SMILES notation for 1-pyridin-2-ylethane-1,2-diimine?
The canonical SMILES for 1-pyridin-2-ylethane-1,2-diimine is [H]/N=C(\C=N\[H])c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylethane-1,2-diimine?
The InChIKey is LZVYLVNWSHDPPG-XVYDYJIPSA-N. The full InChI is InChI=1S/C7H7N3/c8-5-6(9)7-3-1-2-4-10-7/h1-5,8-9H/b8-5+,9-6+.
What are the key properties of 1-pyridin-2-ylethane-1,2-diimine?
1-pyridin-2-ylethane-1,2-diimine has a molecular weight of 133.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethane-1,2-diimine is sourced from PubChem (CID 174501150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).