1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol

C9H13BrN2O — CID 102567815

IUPAC1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3
InChIKeyAZZDBMOKRAXVJB-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.49
Rot. Bonds4

About 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol

1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol (PubChem CID 102567815) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
PubChem CID102567815
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
SMILESCCNCC(O)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3
InChIKeyAZZDBMOKRAXVJB-UHFFFAOYSA-N
XLogP1.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol (CID 102567815) is 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol is CCNCC(O)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
The InChIKey is AZZDBMOKRAXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-11-6-8(13)9-7(10)4-3-5-12-9/h3-5,8,11,13H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol?
1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol has a molecular weight of 245.12 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 102567815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).