1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

C10H14BrClN2O2 — CID 156539974

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2/c1-14(2-3-15)6-9(16)10-8(12)4-7(11)5-13-10/h4-5,9,15-16H,2-3,6H2,1H3
InChIKeyJCWDIFIUTGETJL-UHFFFAOYSA-N
MW309.59 g/mol
LogP1.46
Rot. Bonds5

About 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol

1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 156539974) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID156539974
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ncc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2/c1-14(2-3-15)6-9(16)10-8(12)4-7(11)5-13-10/h4-5,9,15-16H,2-3,6H2,1H3
InChIKeyJCWDIFIUTGETJL-UHFFFAOYSA-N
XLogP1.46
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol (CID 156539974) is 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CC(O)c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is JCWDIFIUTGETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c1-14(2-3-15)6-9(16)10-8(12)4-7(11)5-13-10/h4-5,9,15-16H,2-3,6H2,1H3.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 309.59 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 156539974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).