2-(bromomethyl)-5-octoxypyridine

C14H22BrNO — CID 79799471

IUPAC2-(bromomethyl)-5-octoxypyridine
SMILESCCCCCCCCOc1ccc(CBr)nc1
InChIInChI=1S/C14H22BrNO/c1-2-3-4-5-6-7-10-17-14-9-8-13(11-15)16-12-14/h8-9,12H,2-7,10-11H2,1H3
InChIKeyMLUFHBCWSDCNQX-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.72
Rot. Bonds9

About 2-(bromomethyl)-5-octoxypyridine

2-(bromomethyl)-5-octoxypyridine (PubChem CID 79799471) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(bromomethyl)-5-octoxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-octoxypyridine
PubChem CID79799471
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(bromomethyl)-5-octoxypyridine
SMILESCCCCCCCCOc1ccc(CBr)nc1
InChIInChI=1S/C14H22BrNO/c1-2-3-4-5-6-7-10-17-14-9-8-13(11-15)16-12-14/h8-9,12H,2-7,10-11H2,1H3
InChIKeyMLUFHBCWSDCNQX-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.72
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-decoxypyridine
CID 79799851
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-octoxypyridine?
The IUPAC name of 2-(bromomethyl)-5-octoxypyridine (CID 79799471) is 2-(bromomethyl)-5-octoxypyridine.
What is the SMILES notation for 2-(bromomethyl)-5-octoxypyridine?
The canonical SMILES for 2-(bromomethyl)-5-octoxypyridine is CCCCCCCCOc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-octoxypyridine?
The InChIKey is MLUFHBCWSDCNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-2-3-4-5-6-7-10-17-14-9-8-13(11-15)16-12-14/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 2-(bromomethyl)-5-octoxypyridine?
2-(bromomethyl)-5-octoxypyridine has a molecular weight of 300.24 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-octoxypyridine is sourced from PubChem (CID 79799471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).