2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C10H15BrN2O2 — CID 114869687

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)ncc1Br
InChIInChI=1S/C10H15BrN2O2/c1-8-6-10(12-7-9(8)11)13(2-4-14)3-5-15/h6-7,14-15H,2-5H2,1H3
InChIKeyKNQPJOHUDZVNQX-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.94
Rot. Bonds5

About 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 114869687) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID114869687
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESCc1cc(N(CCO)CCO)ncc1Br
InChIInChI=1S/C10H15BrN2O2/c1-8-6-10(12-7-9(8)11)13(2-4-14)3-5-15/h6-7,14-15H,2-5H2,1H3
InChIKeyKNQPJOHUDZVNQX-UHFFFAOYSA-N
XLogP0.94
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675205
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114870363
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959
5-bromo-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 114870365
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 114869687) is 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is Cc1cc(N(CCO)CCO)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is KNQPJOHUDZVNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-8-6-10(12-7-9(8)11)13(2-4-14)3-5-15/h6-7,14-15H,2-5H2,1H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 275.15 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 114869687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).