4-bromo-1-hydroxy-6-methyl-2H-pyridine

C6H8BrNO — CID 130054776

IUPAC4-bromo-1-hydroxy-6-methyl-2H-pyridine
SMILESCC1=CC(Br)=CCN1O
InChIInChI=1S/C6H8BrNO/c1-5-4-6(7)2-3-8(5)9/h2,4,9H,3H2,1H3
InChIKeyWHEKVGGPWICICQ-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.87
Rot. Bonds

About 4-bromo-1-hydroxy-6-methyl-2H-pyridine

4-bromo-1-hydroxy-6-methyl-2H-pyridine (PubChem CID 130054776) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-bromo-1-hydroxy-6-methyl-2H-pyridine.

Molecular Properties

Compound Name4-bromo-1-hydroxy-6-methyl-2H-pyridine
PubChem CID130054776
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name4-bromo-1-hydroxy-6-methyl-2H-pyridine
SMILESCC1=CC(Br)=CCN1O
InChIInChI=1S/C6H8BrNO/c1-5-4-6(7)2-3-8(5)9/h2,4,9H,3H2,1H3
InChIKeyWHEKVGGPWICICQ-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-hydroxy-6-methyl-2H-pyridine?
The IUPAC name of 4-bromo-1-hydroxy-6-methyl-2H-pyridine (CID 130054776) is 4-bromo-1-hydroxy-6-methyl-2H-pyridine.
What is the SMILES notation for 4-bromo-1-hydroxy-6-methyl-2H-pyridine?
The canonical SMILES for 4-bromo-1-hydroxy-6-methyl-2H-pyridine is CC1=CC(Br)=CCN1O.
What is the InChIKey of 4-bromo-1-hydroxy-6-methyl-2H-pyridine?
The InChIKey is WHEKVGGPWICICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-5-4-6(7)2-3-8(5)9/h2,4,9H,3H2,1H3.
What are the key properties of 4-bromo-1-hydroxy-6-methyl-2H-pyridine?
4-bromo-1-hydroxy-6-methyl-2H-pyridine has a molecular weight of 190.04 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-hydroxy-6-methyl-2H-pyridine is sourced from PubChem (CID 130054776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).