2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol

C13H14BrN3O — CID 71924066

IUPAC2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C13H14BrN3O/c14-12-3-4-13(16-9-12)17(6-7-18)10-11-2-1-5-15-8-11/h1-5,8-9,18H,6-7,10H2
InChIKeyZXFQPKZMZSAXCJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.24
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol

2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 71924066) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
PubChem CID71924066
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1ccc(Br)cn1
InChIInChI=1S/C13H14BrN3O/c14-12-3-4-13(16-9-12)17(6-7-18)10-11-2-1-5-15-8-11/h1-5,8-9,18H,6-7,10H2
InChIKeyZXFQPKZMZSAXCJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol (CID 71924066) is 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol is OCCN(Cc1cccnc1)c1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is ZXFQPKZMZSAXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-12-3-4-13(16-9-12)17(6-7-18)10-11-2-1-5-15-8-11/h1-5,8-9,18H,6-7,10H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 308.18 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 71924066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).