2-(6-bromo-2-pyridinyl)acetonitrile

C7H5BrN2 — CID 642864

IUPAC2-(6-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(Br)n1
InChIInChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChIKeyWUYNZPVTHRDYDT-UHFFFAOYSA-N
MW197.03 g/mol
LogP1.91
Rot. Bonds1

About 2-(6-bromo-2-pyridinyl)acetonitrile

2-(6-bromo-2-pyridinyl)acetonitrile (PubChem CID 642864) has the molecular formula C7H5BrN2 and a molecular weight of 197.03 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)acetonitrile
PubChem CID642864
Molecular FormulaC7H5BrN2
Molecular Weight197.03 g/mol
Exact Mass195.96
IUPAC Name2-(6-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(Br)n1
InChIInChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2
InChIKeyWUYNZPVTHRDYDT-UHFFFAOYSA-N
XLogP1.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-bromo-2-pyridinyl)acetonitrile (CID 642864) is 2-(6-bromo-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)acetonitrile is N#CCc1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)acetonitrile?
The InChIKey is WUYNZPVTHRDYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c8-7-3-1-2-6(10-7)4-5-9/h1-3H,4H2.
What are the key properties of 2-(6-bromo-2-pyridinyl)acetonitrile?
2-(6-bromo-2-pyridinyl)acetonitrile has a molecular weight of 197.03 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)acetonitrile is sourced from PubChem (CID 642864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).