boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol

C11H20BNO5 — CID 174682571

IUPACboric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1cccnc1.OB(O)O
InChIInChI=1S/C11H17NO2.BH3O3/c1-10(2,13)11(3,4)14-9-6-5-7-12-8-9;2-1(3)4/h5-8,13H,1-4H3;2-4H
InChIKeyXRRGGSASYISGTE-UHFFFAOYSA-N
MW257.09 g/mol
LogP-0.04
Rot. Bonds3

About boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol

boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol (PubChem CID 174682571) has the molecular formula C11H20BNO5 and a molecular weight of 257.09 g/mol. Its IUPAC name is boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol.

Molecular Properties

Compound Nameboric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
PubChem CID174682571
Molecular FormulaC11H20BNO5
Molecular Weight257.09 g/mol
Exact Mass257.14
IUPAC Nameboric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1cccnc1.OB(O)O
InChIInChI=1S/C11H17NO2.BH3O3/c1-10(2,13)11(3,4)14-9-6-5-7-12-8-9;2-1(3)4/h5-8,13H,1-4H3;2-4H
InChIKeyXRRGGSASYISGTE-UHFFFAOYSA-N
XLogP-0.04
TPSA103.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromopropan-2-yloxy)pyridine
CID 174735285
2,3-dimethylbutane-2,3-diol;pyridin-3-ylboronic acid
CID 162238895
3-(2,4,4-trimethylpentan-2-yloxy)pyridine
CID 145496558
boric acid;2,3-dimethyl-3-(1H-pyrazol-5-yloxy)butan-2-ol
CID 175429377
CID 153126153
CID 153126153
pyridin-3-yl hypochlorite
CID 91164948
boric acid;3-methylpyridine;tetrafluoroborate
CID 174506250
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
2,3-dipyridin-3-yloxypyrazine
CID 139072759
3-[2-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-2-yl]oxypyridine
CID 146506619
(1R)-1-(4-iodophenyl)-1-pyridin-3-ylethanol
CID 124638281
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol?
The IUPAC name of boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol (CID 174682571) is boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol.
What is the SMILES notation for boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol?
The canonical SMILES for boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol is CC(C)(O)C(C)(C)Oc1cccnc1.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol?
The InChIKey is XRRGGSASYISGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.BH3O3/c1-10(2,13)11(3,4)14-9-6-5-7-12-8-9;2-1(3)4/h5-8,13H,1-4H3;2-4H.
What are the key properties of boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol?
boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol has a molecular weight of 257.09 g/mol, XLogP of -0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethyl-3-pyridin-3-yloxybutan-2-ol is sourced from PubChem (CID 174682571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).