2-(4-imino-1-pyridinyl)acetonitrile

C7H7N3 — CID 45087534

IUPAC2-(4-imino-1-pyridinyl)acetonitrile
SMILES[H]N=c1ccn(CC#N)cc1
InChIInChI=1S/C7H7N3/c8-3-6-10-4-1-7(9)2-5-10/h1-2,4-5,9H,6H2
InChIKeyYQMXFKQSKRIGPC-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.49
Rot. Bonds1

About 2-(4-imino-1-pyridinyl)acetonitrile

2-(4-imino-1-pyridinyl)acetonitrile (PubChem CID 45087534) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(4-imino-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-imino-1-pyridinyl)acetonitrile
PubChem CID45087534
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name2-(4-imino-1-pyridinyl)acetonitrile
SMILES[H]N=c1ccn(CC#N)cc1
InChIInChI=1S/C7H7N3/c8-3-6-10-4-1-7(9)2-5-10/h1-2,4-5,9H,6H2
InChIKeyYQMXFKQSKRIGPC-UHFFFAOYSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylpyridin-4(1H)-imine hydrobromide
CID 6603238
1-methylpyridin-4(1H)-imine
CID 817189
1-Methylpyridin-4-imine;hydroiodide
CID 45926723
1-ethylpyridin-4(1H)-imine
CID 657409
2-(4-Imino-1-pyridinyl)acetonitrile;hydrochloride
CID 90654306
1-propylpyridin-4(1H)-imine
CID 689770
1-Ethylpyridin-4-imine;hydron;bromide
CID 657408
1-Ethylpyridin-4-imine bromide
CID 53313849
4-Imino-1-methylpyridin-3-amine
CID 68266831
(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide
CID 89012470
(E)-N-ethyl-3-imino-N-methylbut-1-en-1-amine
CID 90453668
(Z)-3-imino-N,N-dimethylbut-1-en-1-amine
CID 141884140

Frequently Asked Questions

What is the IUPAC name of 2-(4-imino-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-imino-1-pyridinyl)acetonitrile (CID 45087534) is 2-(4-imino-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-imino-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-imino-1-pyridinyl)acetonitrile is [H]N=c1ccn(CC#N)cc1.
What is the InChIKey of 2-(4-imino-1-pyridinyl)acetonitrile?
The InChIKey is YQMXFKQSKRIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-3-6-10-4-1-7(9)2-5-10/h1-2,4-5,9H,6H2.
What are the key properties of 2-(4-imino-1-pyridinyl)acetonitrile?
2-(4-imino-1-pyridinyl)acetonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imino-1-pyridinyl)acetonitrile is sourced from PubChem (CID 45087534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).