6-bromopyridine-3-carbaldehyde

C6H4BrNO — CID 11769234

IUPAC6-bromopyridine-3-carbaldehyde
SMILESO=Cc1ccc(Br)nc1
InChIInChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKeyPVUKGNBRJFTFNJ-UHFFFAOYSA-N
MW186.01 g/mol
LogP1.66
Rot. Bonds1

About 6-bromopyridine-3-carbaldehyde

6-bromopyridine-3-carbaldehyde (PubChem CID 11769234) has the molecular formula C6H4BrNO and a molecular weight of 186.01 g/mol. Its IUPAC name is 6-bromopyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromopyridine-3-carbaldehyde
PubChem CID11769234
Molecular FormulaC6H4BrNO
Molecular Weight186.01 g/mol
Exact Mass184.95
IUPAC Name6-bromopyridine-3-carbaldehyde
SMILESO=Cc1ccc(Br)nc1
InChIInChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKeyPVUKGNBRJFTFNJ-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.01
LogP ≤ 51.66
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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Related Compounds

Nicotinamide
CID 936
3-Pyridinecarboxaldehyde
CID 10371
3-Acetylpyridine
CID 9589
4-Pyridinecarboxaldehyde
CID 13389
5-Bromonicotinamide
CID 1808
5-Bromo-3-pyridinecarboxaldehyde
CID 2784734
5-Methylpyridine-3-carbaldehyde
CID 14141158
2-Fluoro-5-formylpyridine
CID 16414246
gamma-Oxo-3-pyridinebutanal
CID 115084
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
2-Bromonicotinaldehyde
CID 4714951
6-Chloropyridine-3-carbaldehyde
CID 2764053

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-3-carbaldehyde?
The IUPAC name of 6-bromopyridine-3-carbaldehyde (CID 11769234) is 6-bromopyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromopyridine-3-carbaldehyde?
The canonical SMILES for 6-bromopyridine-3-carbaldehyde is O=Cc1ccc(Br)nc1.
What is the InChIKey of 6-bromopyridine-3-carbaldehyde?
The InChIKey is PVUKGNBRJFTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H.
What are the key properties of 6-bromopyridine-3-carbaldehyde?
6-bromopyridine-3-carbaldehyde has a molecular weight of 186.01 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-3-carbaldehyde is sourced from PubChem (CID 11769234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).