3-bromo-5-propan-2-yloxypyridine

C8H10BrNO — CID 10584808

IUPAC3-bromo-5-propan-2-yloxypyridine
SMILESCC(C)Oc1cncc(Br)c1
InChIInChI=1S/C8H10BrNO/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3
InChIKeyASEHPOZWQJRWAD-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.63
Rot. Bonds2

About 3-bromo-5-propan-2-yloxypyridine

3-bromo-5-propan-2-yloxypyridine (PubChem CID 10584808) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yloxypyridine.

Molecular Properties

Compound Name3-bromo-5-propan-2-yloxypyridine
PubChem CID10584808
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name3-bromo-5-propan-2-yloxypyridine
SMILESCC(C)Oc1cncc(Br)c1
InChIInChI=1S/C8H10BrNO/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3
InChIKeyASEHPOZWQJRWAD-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yloxypyridine?
The IUPAC name of 3-bromo-5-propan-2-yloxypyridine (CID 10584808) is 3-bromo-5-propan-2-yloxypyridine.
What is the SMILES notation for 3-bromo-5-propan-2-yloxypyridine?
The canonical SMILES for 3-bromo-5-propan-2-yloxypyridine is CC(C)Oc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-propan-2-yloxypyridine?
The InChIKey is ASEHPOZWQJRWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3.
What are the key properties of 3-bromo-5-propan-2-yloxypyridine?
3-bromo-5-propan-2-yloxypyridine has a molecular weight of 216.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yloxypyridine is sourced from PubChem (CID 10584808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).