6-bromo-2-methylpyridin-3-ol

C6H6BrNO — CID 11194787

IUPAC6-bromo-2-methylpyridin-3-ol
SMILESCc1nc(Br)ccc1O
InChIInChI=1S/C6H6BrNO/c1-4-5(9)2-3-6(7)8-4/h2-3,9H,1H3
InChIKeyNZEZVKXETZALTH-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.86
Rot. Bonds

About 6-bromo-2-methylpyridin-3-ol

6-bromo-2-methylpyridin-3-ol (PubChem CID 11194787) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 6-bromo-2-methylpyridin-3-ol.

Molecular Properties

Compound Name6-bromo-2-methylpyridin-3-ol
PubChem CID11194787
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name6-bromo-2-methylpyridin-3-ol
SMILESCc1nc(Br)ccc1O
InChIInChI=1S/C6H6BrNO/c1-4-5(9)2-3-6(7)8-4/h2-3,9H,1H3
InChIKeyNZEZVKXETZALTH-UHFFFAOYSA-N
XLogP1.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylpyridin-3-ol?
The IUPAC name of 6-bromo-2-methylpyridin-3-ol (CID 11194787) is 6-bromo-2-methylpyridin-3-ol.
What is the SMILES notation for 6-bromo-2-methylpyridin-3-ol?
The canonical SMILES for 6-bromo-2-methylpyridin-3-ol is Cc1nc(Br)ccc1O.
What is the InChIKey of 6-bromo-2-methylpyridin-3-ol?
The InChIKey is NZEZVKXETZALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-4-5(9)2-3-6(7)8-4/h2-3,9H,1H3.
What are the key properties of 6-bromo-2-methylpyridin-3-ol?
6-bromo-2-methylpyridin-3-ol has a molecular weight of 188.02 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylpyridin-3-ol is sourced from PubChem (CID 11194787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).