2-(bromomethyl)-5-decoxypyridine

C16H26BrNO — CID 79799851

IUPAC2-(bromomethyl)-5-decoxypyridine
SMILESCCCCCCCCCCOc1ccc(CBr)nc1
InChIInChI=1S/C16H26BrNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-15(13-17)18-14-16/h10-11,14H,2-9,12-13H2,1H3
InChIKeySHFJBWHTOONXEA-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.50
Rot. Bonds11

About 2-(bromomethyl)-5-decoxypyridine

2-(bromomethyl)-5-decoxypyridine (PubChem CID 79799851) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(bromomethyl)-5-decoxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-decoxypyridine
PubChem CID79799851
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(bromomethyl)-5-decoxypyridine
SMILESCCCCCCCCCCOc1ccc(CBr)nc1
InChIInChI=1S/C16H26BrNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-15(13-17)18-14-16/h10-11,14H,2-9,12-13H2,1H3
InChIKeySHFJBWHTOONXEA-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-octoxypyridine
CID 79799471
5-octoxypyridin-2-amine
CID 43126983
2-fluoro-5-hexoxypyridine
CID 115371648
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
CID 79799571
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-decoxypyridine?
The IUPAC name of 2-(bromomethyl)-5-decoxypyridine (CID 79799851) is 2-(bromomethyl)-5-decoxypyridine.
What is the SMILES notation for 2-(bromomethyl)-5-decoxypyridine?
The canonical SMILES for 2-(bromomethyl)-5-decoxypyridine is CCCCCCCCCCOc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-decoxypyridine?
The InChIKey is SHFJBWHTOONXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-15(13-17)18-14-16/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of 2-(bromomethyl)-5-decoxypyridine?
2-(bromomethyl)-5-decoxypyridine has a molecular weight of 328.29 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-decoxypyridine is sourced from PubChem (CID 79799851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).