2,2-dimethylpropoxy(pyridin-4-yl)borinic acid

C10H16BNO2 — CID 56924475

IUPAC2,2-dimethylpropoxy(pyridin-4-yl)borinic acid
SMILESCC(C)(C)COB(O)c1ccncc1
InChIInChI=1S/C10H16BNO2/c1-10(2,3)8-14-11(13)9-4-6-12-7-5-9/h4-7,13H,8H2,1-3H3
InChIKeyXRICEDFTGBPCNQ-UHFFFAOYSA-N
MW193.06 g/mol
LogP0.83
Rot. Bonds3

About 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid

2,2-dimethylpropoxy(pyridin-4-yl)borinic acid (PubChem CID 56924475) has the molecular formula C10H16BNO2 and a molecular weight of 193.06 g/mol. Its IUPAC name is 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid.

Molecular Properties

Compound Name2,2-dimethylpropoxy(pyridin-4-yl)borinic acid
PubChem CID56924475
Molecular FormulaC10H16BNO2
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Name2,2-dimethylpropoxy(pyridin-4-yl)borinic acid
SMILESCC(C)(C)COB(O)c1ccncc1
InChIInChI=1S/C10H16BNO2/c1-10(2,3)8-14-11(13)9-4-6-12-7-5-9/h4-7,13H,8H2,1-3H3
InChIKeyXRICEDFTGBPCNQ-UHFFFAOYSA-N
XLogP0.83
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid?
The IUPAC name of 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid (CID 56924475) is 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid.
What is the SMILES notation for 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid?
The canonical SMILES for 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid is CC(C)(C)COB(O)c1ccncc1.
What is the InChIKey of 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid?
The InChIKey is XRICEDFTGBPCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-10(2,3)8-14-11(13)9-4-6-12-7-5-9/h4-7,13H,8H2,1-3H3.
What are the key properties of 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid?
2,2-dimethylpropoxy(pyridin-4-yl)borinic acid has a molecular weight of 193.06 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropoxy(pyridin-4-yl)borinic acid is sourced from PubChem (CID 56924475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).