2-(pyridine-3-carboximidoyl)propanedinitrile

C9H6N4 — CID 7062251

IUPAC2-(pyridine-3-carboximidoyl)propanedinitrile
SMILES[H]/N=C(/c1cccnc1)C(C#N)C#N
InChIInChI=1S/C9H6N4/c10-4-8(5-11)9(12)7-2-1-3-13-6-7/h1-3,6,8,12H/b12-9-
InChIKeyYJOGZPQYUVLUGM-XFXZXTDPSA-N
MW170.17 g/mol
LogP1.11
Rot. Bonds2

About 2-(pyridine-3-carboximidoyl)propanedinitrile

2-(pyridine-3-carboximidoyl)propanedinitrile (PubChem CID 7062251) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(pyridine-3-carboximidoyl)propanedinitrile.

Molecular Properties

Compound Name2-(pyridine-3-carboximidoyl)propanedinitrile
PubChem CID7062251
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name2-(pyridine-3-carboximidoyl)propanedinitrile
SMILES[H]/N=C(/c1cccnc1)C(C#N)C#N
InChIInChI=1S/C9H6N4/c10-4-8(5-11)9(12)7-2-1-3-13-6-7/h1-3,6,8,12H/b12-9-
InChIKeyYJOGZPQYUVLUGM-XFXZXTDPSA-N
XLogP1.11
TPSA84.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyano pyridine-3-carboximidate
CID 19734521
2-(pyridine-3-carboximidoyl)phenol
CID 168995056
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
CID 141168429
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
CID 15180171
N-methyl-2-(pyridine-3-carboximidoyl)benzamide
CID 143221625
CID 131854915
CID 131854915
3-imino-2,3-diphenylpropanenitrile
CID 123903802
3-chloro-3-pyridin-3-ylprop-2-enenitrile
CID 74864132
2-cyano-4-oxo-4-pyridin-3-ylbutanoyl iodide
CID 142217238
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carboximidoyl)propanedinitrile?
The IUPAC name of 2-(pyridine-3-carboximidoyl)propanedinitrile (CID 7062251) is 2-(pyridine-3-carboximidoyl)propanedinitrile.
What is the SMILES notation for 2-(pyridine-3-carboximidoyl)propanedinitrile?
The canonical SMILES for 2-(pyridine-3-carboximidoyl)propanedinitrile is [H]/N=C(/c1cccnc1)C(C#N)C#N.
What is the InChIKey of 2-(pyridine-3-carboximidoyl)propanedinitrile?
The InChIKey is YJOGZPQYUVLUGM-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H6N4/c10-4-8(5-11)9(12)7-2-1-3-13-6-7/h1-3,6,8,12H/b12-9-.
What are the key properties of 2-(pyridine-3-carboximidoyl)propanedinitrile?
2-(pyridine-3-carboximidoyl)propanedinitrile has a molecular weight of 170.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carboximidoyl)propanedinitrile is sourced from PubChem (CID 7062251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).