3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine

C11H13BrClNO — CID 65007377

IUPAC3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine
SMILESClc1cncc(OCC2(CBr)CCC2)c1
InChIInChI=1S/C11H13BrClNO/c12-7-11(2-1-3-11)8-15-10-4-9(13)5-14-6-10/h4-6H,1-3,7-8H2
InChIKeyOMJVYERQLONVBM-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.68
Rot. Bonds4

About 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine

3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine (PubChem CID 65007377) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine
PubChem CID65007377
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine
SMILESClc1cncc(OCC2(CBr)CCC2)c1
InChIInChI=1S/C11H13BrClNO/c12-7-11(2-1-3-11)8-15-10-4-9(13)5-14-6-10/h4-6H,1-3,7-8H2
InChIKeyOMJVYERQLONVBM-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.68
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-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine?
The IUPAC name of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine (CID 65007377) is 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine?
The canonical SMILES for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine is Clc1cncc(OCC2(CBr)CCC2)c1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine?
The InChIKey is OMJVYERQLONVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c12-7-11(2-1-3-11)8-15-10-4-9(13)5-14-6-10/h4-6H,1-3,7-8H2.
What are the key properties of 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine?
3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine has a molecular weight of 290.59 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclobutyl]methoxy]-5-chloropyridine is sourced from PubChem (CID 65007377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).