5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde

C11H12BrNO2 — CID 169131271

IUPAC5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1OC1CCCC1
InChIInChI=1S/C11H12BrNO2/c12-8-5-11(10(7-14)13-6-8)15-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyVAPOODFTEIMGOU-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde

5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde (PubChem CID 169131271) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde
PubChem CID169131271
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1OC1CCCC1
InChIInChI=1S/C11H12BrNO2/c12-8-5-11(10(7-14)13-6-8)15-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeyVAPOODFTEIMGOU-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.98
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 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde (CID 169131271) is 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde is O=Cc1ncc(Br)cc1OC1CCCC1.
What is the InChIKey of 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde?
The InChIKey is VAPOODFTEIMGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-8-5-11(10(7-14)13-6-8)15-9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde?
5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde has a molecular weight of 270.13 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopentyloxypyridine-2-carbaldehyde is sourced from PubChem (CID 169131271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).