3-bromo-5-(oxetan-3-yloxymethyl)pyridine

C9H10BrNO2 — CID 102607218

IUPAC3-bromo-5-(oxetan-3-yloxymethyl)pyridine
SMILESBrc1cncc(COC2COC2)c1
InChIInChI=1S/C9H10BrNO2/c10-8-1-7(2-11-3-8)4-13-9-5-12-6-9/h1-3,9H,4-6H2
InChIKeyIHJPGRQTZYMFID-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.76
Rot. Bonds3

About 3-bromo-5-(oxetan-3-yloxymethyl)pyridine

3-bromo-5-(oxetan-3-yloxymethyl)pyridine (PubChem CID 102607218) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 3-bromo-5-(oxetan-3-yloxymethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(oxetan-3-yloxymethyl)pyridine
PubChem CID102607218
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name3-bromo-5-(oxetan-3-yloxymethyl)pyridine
SMILESBrc1cncc(COC2COC2)c1
InChIInChI=1S/C9H10BrNO2/c10-8-1-7(2-11-3-8)4-13-9-5-12-6-9/h1-3,9H,4-6H2
InChIKeyIHJPGRQTZYMFID-UHFFFAOYSA-N
XLogP1.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(oxetan-3-yloxymethyl)pyridine?
The IUPAC name of 3-bromo-5-(oxetan-3-yloxymethyl)pyridine (CID 102607218) is 3-bromo-5-(oxetan-3-yloxymethyl)pyridine.
What is the SMILES notation for 3-bromo-5-(oxetan-3-yloxymethyl)pyridine?
The canonical SMILES for 3-bromo-5-(oxetan-3-yloxymethyl)pyridine is Brc1cncc(COC2COC2)c1.
What is the InChIKey of 3-bromo-5-(oxetan-3-yloxymethyl)pyridine?
The InChIKey is IHJPGRQTZYMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-1-7(2-11-3-8)4-13-9-5-12-6-9/h1-3,9H,4-6H2.
What are the key properties of 3-bromo-5-(oxetan-3-yloxymethyl)pyridine?
3-bromo-5-(oxetan-3-yloxymethyl)pyridine has a molecular weight of 244.09 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(oxetan-3-yloxymethyl)pyridine is sourced from PubChem (CID 102607218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).