4-bromo-2-hexan-3-yloxypyridine

C11H16BrNO — CID 123576746

IUPAC4-bromo-2-hexan-3-yloxypyridine
SMILESCCCC(CC)Oc1cc(Br)ccn1
InChIInChI=1S/C11H16BrNO/c1-3-5-10(4-2)14-11-8-9(12)6-7-13-11/h6-8,10H,3-5H2,1-2H3
InChIKeyFSBQYAJBPQGISF-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.80
Rot. Bonds5

About 4-bromo-2-hexan-3-yloxypyridine

4-bromo-2-hexan-3-yloxypyridine (PubChem CID 123576746) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-bromo-2-hexan-3-yloxypyridine.

Molecular Properties

Compound Name4-bromo-2-hexan-3-yloxypyridine
PubChem CID123576746
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-bromo-2-hexan-3-yloxypyridine
SMILESCCCC(CC)Oc1cc(Br)ccn1
InChIInChI=1S/C11H16BrNO/c1-3-5-10(4-2)14-11-8-9(12)6-7-13-11/h6-8,10H,3-5H2,1-2H3
InChIKeyFSBQYAJBPQGISF-UHFFFAOYSA-N
XLogP3.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethoxypyridine
CID 2762557
4-bromo-2-(1-phenylethoxy)pyridine
CID 170431674
1-bromo-2-hexan-3-yloxybenzene
CID 66986707
2-pentan-3-yloxypyridine
CID 45091035
2-heptan-3-yloxypyrazine
CID 22248979
4-bromo-2-(2-methylsulfanylethoxy)pyridine
CID 170784646
ethyl 2-(4-bromo-2-pyridinyl)butanoate
CID 163270998
5-bromo-2-heptan-4-yloxybenzaldehyde
CID 89176565
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2,4-dibromopyridine;hydrochloride
CID 87218885
2,4-bis(2-ethenoxypentoxy)pyridine
CID 90074107
2-methoxy-4-pentan-2-ylpyridine
CID 155069578

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hexan-3-yloxypyridine?
The IUPAC name of 4-bromo-2-hexan-3-yloxypyridine (CID 123576746) is 4-bromo-2-hexan-3-yloxypyridine.
What is the SMILES notation for 4-bromo-2-hexan-3-yloxypyridine?
The canonical SMILES for 4-bromo-2-hexan-3-yloxypyridine is CCCC(CC)Oc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-hexan-3-yloxypyridine?
The InChIKey is FSBQYAJBPQGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-5-10(4-2)14-11-8-9(12)6-7-13-11/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-hexan-3-yloxypyridine?
4-bromo-2-hexan-3-yloxypyridine has a molecular weight of 258.16 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hexan-3-yloxypyridine is sourced from PubChem (CID 123576746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).