6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde

C11H7BrN2O — CID 11851376

IUPAC6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cccc(Br)n2)n1
InChIInChI=1S/C11H7BrN2O/c12-11-6-2-5-10(14-11)9-4-1-3-8(7-15)13-9/h1-7H
InChIKeyBHLRABJRIUKBDH-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.72
Rot. Bonds2

About 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde

6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde (PubChem CID 11851376) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde
PubChem CID11851376
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde
SMILESO=Cc1cccc(-c2cccc(Br)n2)n1
InChIInChI=1S/C11H7BrN2O/c12-11-6-2-5-10(14-11)9-4-1-3-8(7-15)13-9/h1-7H
InChIKeyBHLRABJRIUKBDH-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde (CID 11851376) is 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde is O=Cc1cccc(-c2cccc(Br)n2)n1.
What is the InChIKey of 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde?
The InChIKey is BHLRABJRIUKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-11-6-2-5-10(14-11)9-4-1-3-8(7-15)13-9/h1-7H.
What are the key properties of 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde?
6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde has a molecular weight of 263.09 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-2-pyridinyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 11851376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).