2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile

C9H9IN2 — CID 139373118

IUPAC2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(I)cn1
InChIInChI=1S/C9H9IN2/c1-9(2,6-11)8-4-3-7(10)5-12-8/h3-5H,1-2H3
InChIKeyBCPRILMQSKTKHC-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.49
Rot. Bonds1

About 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile

2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile (PubChem CID 139373118) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile
PubChem CID139373118
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(I)cn1
InChIInChI=1S/C9H9IN2/c1-9(2,6-11)8-4-3-7(10)5-12-8/h3-5H,1-2H3
InChIKeyBCPRILMQSKTKHC-UHFFFAOYSA-N
XLogP2.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile (CID 139373118) is 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile is CC(C)(C#N)c1ccc(I)cn1.
What is the InChIKey of 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile?
The InChIKey is BCPRILMQSKTKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-9(2,6-11)8-4-3-7(10)5-12-8/h3-5H,1-2H3.
What are the key properties of 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile?
2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile has a molecular weight of 272.09 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 139373118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).