2-bromo-6-butan-2-ylpyridin-3-ol

C9H12BrNO — CID 137386140

IUPAC2-bromo-6-butan-2-ylpyridin-3-ol
SMILESCCC(C)c1ccc(O)c(Br)n1
InChIInChI=1S/C9H12BrNO/c1-3-6(2)7-4-5-8(12)9(10)11-7/h4-6,12H,3H2,1-2H3
InChIKeyKOZWOMKHNNXDAV-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.06
Rot. Bonds2

About 2-bromo-6-butan-2-ylpyridin-3-ol

2-bromo-6-butan-2-ylpyridin-3-ol (PubChem CID 137386140) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-6-butan-2-ylpyridin-3-ol.

Molecular Properties

Compound Name2-bromo-6-butan-2-ylpyridin-3-ol
PubChem CID137386140
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-6-butan-2-ylpyridin-3-ol
SMILESCCC(C)c1ccc(O)c(Br)n1
InChIInChI=1S/C9H12BrNO/c1-3-6(2)7-4-5-8(12)9(10)11-7/h4-6,12H,3H2,1-2H3
InChIKeyKOZWOMKHNNXDAV-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.06
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 2-bromo-6-butan-2-ylpyridin-3-ol?
The IUPAC name of 2-bromo-6-butan-2-ylpyridin-3-ol (CID 137386140) is 2-bromo-6-butan-2-ylpyridin-3-ol.
What is the SMILES notation for 2-bromo-6-butan-2-ylpyridin-3-ol?
The canonical SMILES for 2-bromo-6-butan-2-ylpyridin-3-ol is CCC(C)c1ccc(O)c(Br)n1.
What is the InChIKey of 2-bromo-6-butan-2-ylpyridin-3-ol?
The InChIKey is KOZWOMKHNNXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-3-6(2)7-4-5-8(12)9(10)11-7/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-bromo-6-butan-2-ylpyridin-3-ol?
2-bromo-6-butan-2-ylpyridin-3-ol has a molecular weight of 230.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-butan-2-ylpyridin-3-ol is sourced from PubChem (CID 137386140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).