5-bromo-4-methylpyridine-3-carbaldehyde

C7H6BrNO — CID 22238337

IUPAC5-bromo-4-methylpyridine-3-carbaldehyde
SMILESCc1c(Br)cncc1C=O
InChIInChI=1S/C7H6BrNO/c1-5-6(4-10)2-9-3-7(5)8/h2-4H,1H3
InChIKeyVMKUWJPBSLTFMK-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.97
Rot. Bonds1

About 5-bromo-4-methylpyridine-3-carbaldehyde

5-bromo-4-methylpyridine-3-carbaldehyde (PubChem CID 22238337) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-4-methylpyridine-3-carbaldehyde
PubChem CID22238337
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name5-bromo-4-methylpyridine-3-carbaldehyde
SMILESCc1c(Br)cncc1C=O
InChIInChI=1S/C7H6BrNO/c1-5-6(4-10)2-9-3-7(5)8/h2-4H,1H3
InChIKeyVMKUWJPBSLTFMK-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.97
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 5-bromo-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-4-methylpyridine-3-carbaldehyde (CID 22238337) is 5-bromo-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-4-methylpyridine-3-carbaldehyde is Cc1c(Br)cncc1C=O.
What is the InChIKey of 5-bromo-4-methylpyridine-3-carbaldehyde?
The InChIKey is VMKUWJPBSLTFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-5-6(4-10)2-9-3-7(5)8/h2-4H,1H3.
What are the key properties of 5-bromo-4-methylpyridine-3-carbaldehyde?
5-bromo-4-methylpyridine-3-carbaldehyde has a molecular weight of 200.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 22238337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).