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

C7H8ClN3 — CID 90654306

IUPAC2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride
SMILESCl.[H]N=c1ccn(CC#N)cc1
InChIInChI=1S/C7H7N3.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h1-2,4-5,9H,6H2;1H
InChIKeyHYGAGLZVCCXRPJ-UHFFFAOYSA-N
MW169.62 g/mol
LogP0.91
Rot. Bonds1

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

2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride (PubChem CID 90654306) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride
PubChem CID90654306
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride
SMILESCl.[H]N=c1ccn(CC#N)cc1
InChIInChI=1S/C7H7N3.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h1-2,4-5,9H,6H2;1H
InChIKeyHYGAGLZVCCXRPJ-UHFFFAOYSA-N
XLogP0.91
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride?
The IUPAC name of 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride (CID 90654306) is 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride is Cl.[H]N=c1ccn(CC#N)cc1.
What is the InChIKey of 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride?
The InChIKey is HYGAGLZVCCXRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h1-2,4-5,9H,6H2;1H.
What are the key properties of 2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride?
2-(4-imino-1-pyridinyl)acetonitrile;hydrochloride has a molecular weight of 169.62 g/mol, XLogP of 0.91, 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;hydrochloride is sourced from PubChem (CID 90654306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).