3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol

C10H15BrN2O2 — CID 133346518

IUPAC3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2/c11-9-2-3-10(12-8-9)13(5-7-15)4-1-6-14/h2-3,8,14-15H,1,4-7H2
InChIKeyXCBZWMGEAYNEIQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.03
Rot. Bonds6

About 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol

3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 133346518) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID133346518
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O2/c11-9-2-3-10(12-8-9)13(5-7-15)4-1-6-14/h2-3,8,14-15H,1,4-7H2
InChIKeyXCBZWMGEAYNEIQ-UHFFFAOYSA-N
XLogP1.03
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol (CID 133346518) is 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)c1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is XCBZWMGEAYNEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c11-9-2-3-10(12-8-9)13(5-7-15)4-1-6-14/h2-3,8,14-15H,1,4-7H2.
What are the key properties of 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 275.15 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 133346518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).