2-(2-bromo-3-pyridinyl)acetaldehyde

C7H6BrNO — CID 58138967

IUPAC2-(2-bromo-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1Br
InChIInChI=1S/C7H6BrNO/c8-7-6(3-5-10)2-1-4-9-7/h1-2,4-5H,3H2
InChIKeyGOHUZVZUSAATLP-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-bromo-3-pyridinyl)acetaldehyde

2-(2-bromo-3-pyridinyl)acetaldehyde (PubChem CID 58138967) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 2-(2-bromo-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-bromo-3-pyridinyl)acetaldehyde
PubChem CID58138967
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name2-(2-bromo-3-pyridinyl)acetaldehyde
SMILESO=CCc1cccnc1Br
InChIInChI=1S/C7H6BrNO/c8-7-6(3-5-10)2-1-4-9-7/h1-2,4-5H,3H2
InChIKeyGOHUZVZUSAATLP-UHFFFAOYSA-N
XLogP1.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2-bromo-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-(2-bromo-3-pyridinyl)acetaldehyde (CID 58138967) is 2-(2-bromo-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(2-bromo-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(2-bromo-3-pyridinyl)acetaldehyde is O=CCc1cccnc1Br.
What is the InChIKey of 2-(2-bromo-3-pyridinyl)acetaldehyde?
The InChIKey is GOHUZVZUSAATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-7-6(3-5-10)2-1-4-9-7/h1-2,4-5H,3H2.
What are the key properties of 2-(2-bromo-3-pyridinyl)acetaldehyde?
2-(2-bromo-3-pyridinyl)acetaldehyde has a molecular weight of 200.03 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 58138967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).