5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol

C11H16Br2N2O — CID 107203331

IUPAC5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O/c1-15(5-3-2-4-6-16)11-10(13)7-9(12)8-14-11/h7-8,16H,2-6H2,1H3
InChIKeyREESIHVNCGWRAK-UHFFFAOYSA-N
MW352.07 g/mol
LogP3.21
Rot. Bonds6

About 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol

5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol (PubChem CID 107203331) has the molecular formula C11H16Br2N2O and a molecular weight of 352.07 g/mol. Its IUPAC name is 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
PubChem CID107203331
Molecular FormulaC11H16Br2N2O
Molecular Weight352.07 g/mol
Exact Mass349.96
IUPAC Name5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O/c1-15(5-3-2-4-6-16)11-10(13)7-9(12)8-14-11/h7-8,16H,2-6H2,1H3
InChIKeyREESIHVNCGWRAK-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol (CID 107203331) is 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol is CN(CCCCCO)c1ncc(Br)cc1Br.
What is the InChIKey of 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol?
The InChIKey is REESIHVNCGWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O/c1-15(5-3-2-4-6-16)11-10(13)7-9(12)8-14-11/h7-8,16H,2-6H2,1H3.
What are the key properties of 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol?
5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol has a molecular weight of 352.07 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).