[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol

C11H12BrNO2 — CID 56925771

IUPAC[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol
SMILESC#CC(C)(C)Oc1ccc(CO)nc1Br
InChIInChI=1S/C11H12BrNO2/c1-4-11(2,3)15-9-6-5-8(7-14)13-10(9)12/h1,5-6,14H,7H2,2-3H3
InChIKeyBVKVNUPQRHVWBO-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.13
Rot. Bonds3

About [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol

[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol (PubChem CID 56925771) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol
PubChem CID56925771
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol
SMILESC#CC(C)(C)Oc1ccc(CO)nc1Br
InChIInChI=1S/C11H12BrNO2/c1-4-11(2,3)15-9-6-5-8(7-14)13-10(9)12/h1,5-6,14H,7H2,2-3H3
InChIKeyBVKVNUPQRHVWBO-UHFFFAOYSA-N
XLogP2.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-3-methoxy-6-methylpyridine
CID 10965563
(5,6-Dimethoxypyridin-2-yl)methanol
CID 45361771
3-Methoxy-2,6-pyridinedimethanol
CID 119094764
(5-Methoxy-6-methylpyridin-2-yl)methanol
CID 129980751
3-Butoxy-6-(hydroxymethyl)-2-methylpyridine
CID 164927152
3-Butoxy-2,6-bis(hydroxymethyl)pyridine
CID 164927154
6-Bromomethyl-3-ethoxy-2-fluoropyridine
CID 57791289
[6-Methyl-5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol
CID 67289214
(5-Methoxy-6-(trifluoromethyl)pyridin-2-yl)methanol
CID 96536888
6-Bromo-2-(difluoromethyl)-3-(2,4-dimethylpentoxy)pyridine
CID 123716987
2-Bromo-3-ethoxy-6-(trifluoromethyl)pyridine
CID 129957807
(6-Fluoro-5-methoxypyridin-2-yl)methanol
CID 131054646

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol?
The IUPAC name of [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol (CID 56925771) is [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol is C#CC(C)(C)Oc1ccc(CO)nc1Br.
What is the InChIKey of [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol?
The InChIKey is BVKVNUPQRHVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-4-11(2,3)15-9-6-5-8(7-14)13-10(9)12/h1,5-6,14H,7H2,2-3H3.
What are the key properties of [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol?
[6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol has a molecular weight of 270.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(2-methylbut-3-yn-2-yloxy)-2-pyridinyl]methanol is sourced from PubChem (CID 56925771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).