2-(4-bromo-2-pyridinyl)acetaldehyde

C7H6BrNO — CID 53403630

IUPAC2-(4-bromo-2-pyridinyl)acetaldehyde
SMILESO=CCc1cc(Br)ccn1
InChIInChI=1S/C7H6BrNO/c8-6-1-3-9-7(5-6)2-4-10/h1,3-5H,2H2
InChIKeyIHSWCJXRHDPEDJ-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.59
Rot. Bonds2

About 2-(4-bromo-2-pyridinyl)acetaldehyde

2-(4-bromo-2-pyridinyl)acetaldehyde (PubChem CID 53403630) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 2-(4-bromo-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-pyridinyl)acetaldehyde
PubChem CID53403630
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name2-(4-bromo-2-pyridinyl)acetaldehyde
SMILESO=CCc1cc(Br)ccn1
InChIInChI=1S/C7H6BrNO/c8-6-1-3-9-7(5-6)2-4-10/h1,3-5H,2H2
InChIKeyIHSWCJXRHDPEDJ-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-(4-bromo-2-pyridinyl)acetaldehyde (CID 53403630) is 2-(4-bromo-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-2-pyridinyl)acetaldehyde is O=CCc1cc(Br)ccn1.
What is the InChIKey of 2-(4-bromo-2-pyridinyl)acetaldehyde?
The InChIKey is IHSWCJXRHDPEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-1-3-9-7(5-6)2-4-10/h1,3-5H,2H2.
What are the key properties of 2-(4-bromo-2-pyridinyl)acetaldehyde?
2-(4-bromo-2-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-(4-bromo-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 53403630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).