4-bromo-5-chloropyridine-2-carbaldehyde

C6H3BrClNO — CID 118828194

IUPAC4-bromo-5-chloropyridine-2-carbaldehyde
SMILESO=Cc1cc(Br)c(Cl)cn1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(3-10)9-2-6(5)8/h1-3H
InChIKeyCBTWGUQMNVUMOK-UHFFFAOYSA-N
MW220.45 g/mol
LogP2.31
Rot. Bonds1

About 4-bromo-5-chloropyridine-2-carbaldehyde

4-bromo-5-chloropyridine-2-carbaldehyde (PubChem CID 118828194) has the molecular formula C6H3BrClNO and a molecular weight of 220.45 g/mol. Its IUPAC name is 4-bromo-5-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-chloropyridine-2-carbaldehyde
PubChem CID118828194
Molecular FormulaC6H3BrClNO
Molecular Weight220.45 g/mol
Exact Mass218.91
IUPAC Name4-bromo-5-chloropyridine-2-carbaldehyde
SMILESO=Cc1cc(Br)c(Cl)cn1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(3-10)9-2-6(5)8/h1-3H
InChIKeyCBTWGUQMNVUMOK-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 52.31
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 4-bromo-5-chloropyridine-2-carbaldehyde?
The IUPAC name of 4-bromo-5-chloropyridine-2-carbaldehyde (CID 118828194) is 4-bromo-5-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-chloropyridine-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-chloropyridine-2-carbaldehyde is O=Cc1cc(Br)c(Cl)cn1.
What is the InChIKey of 4-bromo-5-chloropyridine-2-carbaldehyde?
The InChIKey is CBTWGUQMNVUMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)9-2-6(5)8/h1-3H.
What are the key properties of 4-bromo-5-chloropyridine-2-carbaldehyde?
4-bromo-5-chloropyridine-2-carbaldehyde has a molecular weight of 220.45 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 118828194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).