5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol

C11H17BrN2O — CID 107201811

IUPAC5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c1-14(8-3-2-4-9-15)11-7-5-6-10(12)13-11/h5-7,15H,2-4,8-9H2,1H3
InChIKeyXNLAUWPKGVSBEK-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.44
Rot. Bonds6

About 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol

5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol (PubChem CID 107201811) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
PubChem CID107201811
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1cccc(Br)n1
InChIInChI=1S/C11H17BrN2O/c1-14(8-3-2-4-9-15)11-7-5-6-10(12)13-11/h5-7,15H,2-4,8-9H2,1H3
InChIKeyXNLAUWPKGVSBEK-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 145104975
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201844
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
CID 61229567
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201810
6-bromo-N,N-dibutylpyridin-2-amine
CID 63961710
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
CID 62253944
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol (CID 107201811) is 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol is CN(CCCCCO)c1cccc(Br)n1.
What is the InChIKey of 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol?
The InChIKey is XNLAUWPKGVSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-14(8-3-2-4-9-15)11-7-5-6-10(12)13-11/h5-7,15H,2-4,8-9H2,1H3.
What are the key properties of 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol?
5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-pyridinyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107201811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).