2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol

C11H12BrN3O — CID 59525951

IUPAC2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cccc(Br)n2)cn1
InChIInChI=1S/C11H12BrN3O/c1-15-7-8(6-13-15)10(16)5-9-3-2-4-11(12)14-9/h2-4,6-7,10,16H,5H2,1H3
InChIKeyWBFATWAJSJVFPP-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.85
Rot. Bonds3

About 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol

2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 59525951) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID59525951
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cccc(Br)n2)cn1
InChIInChI=1S/C11H12BrN3O/c1-15-7-8(6-13-15)10(16)5-9-3-2-4-11(12)14-9/h2-4,6-7,10,16H,5H2,1H3
InChIKeyWBFATWAJSJVFPP-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113357896
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2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
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1-(1-methylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
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2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
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(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
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1-(1-ethylpyrazol-4-yl)-2-(1-methyltriazol-4-yl)ethanol
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3,4,4-trimethyl-1-(1-methylpyrazol-4-yl)pentan-1-ol
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CID 103572665

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 59525951) is 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)Cc2cccc(Br)n2)cn1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is WBFATWAJSJVFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-7-8(6-13-15)10(16)5-9-3-2-4-11(12)14-9/h2-4,6-7,10,16H,5H2,1H3.
What are the key properties of 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 282.14 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 59525951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).