3-[5-(bromomethyl)oxolan-2-yl]pyridine

C10H12BrNO — CID 11459143

IUPAC3-[5-(bromomethyl)oxolan-2-yl]pyridine
SMILESBrCC1CCC(c2cccnc2)O1
InChIInChI=1S/C10H12BrNO/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-2,5,7,9-10H,3-4,6H2
InChIKeyBUVIXGCPOSSJGD-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.70
Rot. Bonds2

About 3-[5-(bromomethyl)oxolan-2-yl]pyridine

3-[5-(bromomethyl)oxolan-2-yl]pyridine (PubChem CID 11459143) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-[5-(bromomethyl)oxolan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(bromomethyl)oxolan-2-yl]pyridine
PubChem CID11459143
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name3-[5-(bromomethyl)oxolan-2-yl]pyridine
SMILESBrCC1CCC(c2cccnc2)O1
InChIInChI=1S/C10H12BrNO/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-2,5,7,9-10H,3-4,6H2
InChIKeyBUVIXGCPOSSJGD-UHFFFAOYSA-N
XLogP2.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(bromomethyl)oxolan-2-yl]pyridine?
The IUPAC name of 3-[5-(bromomethyl)oxolan-2-yl]pyridine (CID 11459143) is 3-[5-(bromomethyl)oxolan-2-yl]pyridine.
What is the SMILES notation for 3-[5-(bromomethyl)oxolan-2-yl]pyridine?
The canonical SMILES for 3-[5-(bromomethyl)oxolan-2-yl]pyridine is BrCC1CCC(c2cccnc2)O1.
What is the InChIKey of 3-[5-(bromomethyl)oxolan-2-yl]pyridine?
The InChIKey is BUVIXGCPOSSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-2,5,7,9-10H,3-4,6H2.
What are the key properties of 3-[5-(bromomethyl)oxolan-2-yl]pyridine?
3-[5-(bromomethyl)oxolan-2-yl]pyridine has a molecular weight of 242.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(bromomethyl)oxolan-2-yl]pyridine is sourced from PubChem (CID 11459143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).