2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid

C11H20BNO4 — CID 162238895

IUPAC2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid
SMILESCC(C)(O)C(C)(C)O.OB(O)c1cccnc1
InChIInChI=1S/C6H14O2.C5H6BNO2/c1-5(2,7)6(3,4)8;8-6(9)5-2-1-3-7-4-5/h7-8H,1-4H3;1-4,8-9H
InChIKeyZWKZBUNCVZNROQ-UHFFFAOYSA-N
MW241.10 g/mol
LogP-0.71
Rot. Bonds2

About 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid

2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid (PubChem CID 162238895) has the molecular formula C11H20BNO4 and a molecular weight of 241.10 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid
PubChem CID162238895
Molecular FormulaC11H20BNO4
Molecular Weight241.10 g/mol
Exact Mass241.15
IUPAC Name2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid
SMILESCC(C)(O)C(C)(C)O.OB(O)c1cccnc1
InChIInChI=1S/C6H14O2.C5H6BNO2/c1-5(2,7)6(3,4)8;8-6(9)5-2-1-3-7-4-5/h7-8H,1-4H3;1-4,8-9H
InChIKeyZWKZBUNCVZNROQ-UHFFFAOYSA-N
XLogP-0.71
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bromomethane;3-methylpyridine;pyridin-3-ylboronic acid
CID 159846094
(4-tert-butylphenyl)boronic acid;3-(4-tert-butylphenyl)pyridine
CID 165063634
boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
CID 174682571
[3-(3-pyridin-3-ylbut-2-en-2-yl)phenyl]boronic acid
CID 175457370
phenylboronic acid;pyridine
CID 160947714
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2,3-dimethylbutane-2,3-diol;(4-methoxyphenyl)boronic acid
CID 71116543
1,4-bis[(4-bromophenyl)sulfonyl]benzene;pyridin-3-ylboronic acid;3-[4-[4-(4-pyridin-3-ylphenyl)sulfonylphenyl]sulfonylphenyl]pyridine
CID 157120466
(5-tert-butylisoquinolin-7-yl)boronic acid
CID 171854407
pyridin-3-olate
CID 14387722
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid (CID 162238895) is 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid is CC(C)(O)C(C)(C)O.OB(O)c1cccnc1.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid?
The InChIKey is ZWKZBUNCVZNROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H6BNO2/c1-5(2,7)6(3,4)8;8-6(9)5-2-1-3-7-4-5/h7-8H,1-4H3;1-4,8-9H.
What are the key properties of 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid?
2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid has a molecular weight of 241.10 g/mol, XLogP of -0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid is sourced from PubChem (CID 162238895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).