3-bromo-5-methoxypyridine-2-carbaldehyde

C7H6BrNO2 — CID 83886920

IUPAC3-bromo-5-methoxypyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(Br)c1
InChIInChI=1S/C7H6BrNO2/c1-11-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKeyZDCQVGSEFVCLFH-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.67
Rot. Bonds2

About 3-bromo-5-methoxypyridine-2-carbaldehyde

3-bromo-5-methoxypyridine-2-carbaldehyde (PubChem CID 83886920) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 3-bromo-5-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-methoxypyridine-2-carbaldehyde
PubChem CID83886920
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name3-bromo-5-methoxypyridine-2-carbaldehyde
SMILESCOc1cnc(C=O)c(Br)c1
InChIInChI=1S/C7H6BrNO2/c1-11-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3
InChIKeyZDCQVGSEFVCLFH-UHFFFAOYSA-N
XLogP1.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxypyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-5-methoxypyridine-2-carbaldehyde (CID 83886920) is 3-bromo-5-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-5-methoxypyridine-2-carbaldehyde is COc1cnc(C=O)c(Br)c1.
What is the InChIKey of 3-bromo-5-methoxypyridine-2-carbaldehyde?
The InChIKey is ZDCQVGSEFVCLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c1-11-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3.
What are the key properties of 3-bromo-5-methoxypyridine-2-carbaldehyde?
3-bromo-5-methoxypyridine-2-carbaldehyde has a molecular weight of 216.03 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 83886920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).