1-(2-amino-5-bromo-3-pyridinyl)ethanol

C7H9BrN2O — CID 25000008

IUPAC1-(2-amino-5-bromo-3-pyridinyl)ethanol
SMILESCC(O)c1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3,(H2,9,10)
InChIKeyBRGDGUJGSXQUTN-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.48
Rot. Bonds1

About 1-(2-amino-5-bromo-3-pyridinyl)ethanol

1-(2-amino-5-bromo-3-pyridinyl)ethanol (PubChem CID 25000008) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)ethanol
PubChem CID25000008
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)ethanol
SMILESCC(O)c1cc(Br)cnc1N
InChIInChI=1S/C7H9BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3,(H2,9,10)
InChIKeyBRGDGUJGSXQUTN-UHFFFAOYSA-N
XLogP1.48
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)ethanol?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)ethanol (CID 25000008) is 1-(2-amino-5-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)ethanol?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)ethanol is CC(O)c1cc(Br)cnc1N.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)ethanol?
The InChIKey is BRGDGUJGSXQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3,(H2,9,10).
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)ethanol?
1-(2-amino-5-bromo-3-pyridinyl)ethanol has a molecular weight of 217.07 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 25000008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).