5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine

C11H13BrClNO2 — CID 62001160

IUPAC5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine
SMILESClCc1cc(Br)cnc1OC1CCOCC1
InChIInChI=1S/C11H13BrClNO2/c12-9-5-8(6-13)11(14-7-9)16-10-1-3-15-4-2-10/h5,7,10H,1-4,6H2
InChIKeyFTYOKMORGHBCGA-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine

5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine (PubChem CID 62001160) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine
PubChem CID62001160
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine
SMILESClCc1cc(Br)cnc1OC1CCOCC1
InChIInChI=1S/C11H13BrClNO2/c12-9-5-8(6-13)11(14-7-9)16-10-1-3-15-4-2-10/h5,7,10H,1-4,6H2
InChIKeyFTYOKMORGHBCGA-UHFFFAOYSA-N
XLogP3.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine (CID 62001160) is 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine is ClCc1cc(Br)cnc1OC1CCOCC1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine?
The InChIKey is FTYOKMORGHBCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-9-5-8(6-13)11(14-7-9)16-10-1-3-15-4-2-10/h5,7,10H,1-4,6H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine?
5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine has a molecular weight of 306.59 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine is sourced from PubChem (CID 62001160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).