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

C7H7Br2NO — CID 87343440

IUPAC2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide
SMILESBr.O=CCc1ccnc(Br)c1
InChIInChI=1S/C7H6BrNO.BrH/c8-7-5-6(2-4-10)1-3-9-7;/h1,3-5H,2H2;1H
InChIKeyHBTARSSSRUCOGU-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.16
Rot. Bonds2

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

2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide (PubChem CID 87343440) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide
PubChem CID87343440
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide
SMILESBr.O=CCc1ccnc(Br)c1
InChIInChI=1S/C7H6BrNO.BrH/c8-7-5-6(2-4-10)1-3-9-7;/h1,3-5H,2H2;1H
InChIKeyHBTARSSSRUCOGU-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.16
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-4-pyridinyl)acetaldehyde;hydrobromide?
The IUPAC name of 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide (CID 87343440) is 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide is Br.O=CCc1ccnc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide?
The InChIKey is HBTARSSSRUCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO.BrH/c8-7-5-6(2-4-10)1-3-9-7;/h1,3-5H,2H2;1H.
What are the key properties of 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide?
2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide has a molecular weight of 280.95 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)acetaldehyde;hydrobromide is sourced from PubChem (CID 87343440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).