[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol

C7H8BrNO2 — CID 68748330

IUPAC[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1CO
InChIInChI=1S/C7H8BrNO2/c8-6-1-5(3-10)7(4-11)9-2-6/h1-2,10-11H,3-4H2
InChIKeyUIJUHQDWZRFCAZ-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.83
Rot. Bonds2

About [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol

[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol (PubChem CID 68748330) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol
PubChem CID68748330
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol
SMILESOCc1cc(Br)cnc1CO
InChIInChI=1S/C7H8BrNO2/c8-6-1-5(3-10)7(4-11)9-2-6/h1-2,10-11H,3-4H2
InChIKeyUIJUHQDWZRFCAZ-UHFFFAOYSA-N
XLogP0.83
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol (CID 68748330) is [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol is OCc1cc(Br)cnc1CO.
What is the InChIKey of [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol?
The InChIKey is UIJUHQDWZRFCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c8-6-1-5(3-10)7(4-11)9-2-6/h1-2,10-11H,3-4H2.
What are the key properties of [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol?
[5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol has a molecular weight of 218.05 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(hydroxymethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 68748330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).