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

C13H14ClN3O — CID 71924067

IUPAC2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1ccc(Cl)cn1
InChIInChI=1S/C13H14ClN3O/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
InChIKeyQUCYPUZLMXSIKT-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.13
Rot. Bonds5

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

2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 71924067) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
PubChem CID71924067
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)c1ccc(Cl)cn1
InChIInChI=1S/C13H14ClN3O/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
InChIKeyQUCYPUZLMXSIKT-UHFFFAOYSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol (CID 71924067) is 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol is OCCN(Cc1cccnc1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is QUCYPUZLMXSIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/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-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol?
2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 263.73 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 71924067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).