5-bromo-2-methylpyridin-3-ol

C6H6BrNO — CID 13227968

IUPAC5-bromo-2-methylpyridin-3-ol
SMILESCc1ncc(Br)cc1O
InChIInChI=1S/C6H6BrNO/c1-4-6(9)2-5(7)3-8-4/h2-3,9H,1H3
InChIKeyKTXDLMQWUZXRPA-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.86
Rot. Bonds

About 5-bromo-2-methylpyridin-3-ol

5-bromo-2-methylpyridin-3-ol (PubChem CID 13227968) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 5-bromo-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-methylpyridin-3-ol
PubChem CID13227968
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name5-bromo-2-methylpyridin-3-ol
SMILESCc1ncc(Br)cc1O
InChIInChI=1S/C6H6BrNO/c1-4-6(9)2-5(7)3-8-4/h2-3,9H,1H3
InChIKeyKTXDLMQWUZXRPA-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridin-3-ol?
The IUPAC name of 5-bromo-2-methylpyridin-3-ol (CID 13227968) is 5-bromo-2-methylpyridin-3-ol.
What is the SMILES notation for 5-bromo-2-methylpyridin-3-ol?
The canonical SMILES for 5-bromo-2-methylpyridin-3-ol is Cc1ncc(Br)cc1O.
What is the InChIKey of 5-bromo-2-methylpyridin-3-ol?
The InChIKey is KTXDLMQWUZXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-4-6(9)2-5(7)3-8-4/h2-3,9H,1H3.
What are the key properties of 5-bromo-2-methylpyridin-3-ol?
5-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 5-bromo-2-methylpyridin-3-ol is sourced from PubChem (CID 13227968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).