5-bromo-3-cyclopentyl-2-methoxypyridine

C11H14BrNO — CID 172993694

IUPAC5-bromo-3-cyclopentyl-2-methoxypyridine
SMILESCOc1ncc(Br)cc1C1CCCC1
InChIInChI=1S/C11H14BrNO/c1-14-11-10(6-9(12)7-13-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyQIWYVSMRRWRKHB-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-3-cyclopentyl-2-methoxypyridine

5-bromo-3-cyclopentyl-2-methoxypyridine (PubChem CID 172993694) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 5-bromo-3-cyclopentyl-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-cyclopentyl-2-methoxypyridine
PubChem CID172993694
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name5-bromo-3-cyclopentyl-2-methoxypyridine
SMILESCOc1ncc(Br)cc1C1CCCC1
InChIInChI=1S/C11H14BrNO/c1-14-11-10(6-9(12)7-13-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChIKeyQIWYVSMRRWRKHB-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopentyl-2-methoxypyridine?
The IUPAC name of 5-bromo-3-cyclopentyl-2-methoxypyridine (CID 172993694) is 5-bromo-3-cyclopentyl-2-methoxypyridine.
What is the SMILES notation for 5-bromo-3-cyclopentyl-2-methoxypyridine?
The canonical SMILES for 5-bromo-3-cyclopentyl-2-methoxypyridine is COc1ncc(Br)cc1C1CCCC1.
What is the InChIKey of 5-bromo-3-cyclopentyl-2-methoxypyridine?
The InChIKey is QIWYVSMRRWRKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-10(6-9(12)7-13-11)8-4-2-3-5-8/h6-8H,2-5H2,1H3.
What are the key properties of 5-bromo-3-cyclopentyl-2-methoxypyridine?
5-bromo-3-cyclopentyl-2-methoxypyridine has a molecular weight of 256.14 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopentyl-2-methoxypyridine is sourced from PubChem (CID 172993694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).