CID 167350707

C10H16BN2O4 — CID 167350707

IUPAC—
SMILESCc1c(O[B]O)nn(C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C10H16BN2O4/c1-6-7(2)13(12-8(6)17-11-15)9(14)16-10(3,4)5/h15H,1-5H3
InChIKeyIMPPHHHDRJBXIO-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.19
Rot. Bonds2

About CID 167350707

CID 167350707 (PubChem CID 167350707) has the molecular formula C10H16BN2O4 and a molecular weight of 239.06 g/mol.

Molecular Properties

Compound NameCID 167350707
PubChem CID167350707
Molecular FormulaC10H16BN2O4
Molecular Weight239.06 g/mol
Exact Mass239.12
IUPAC Name—
SMILESCc1c(O[B]O)nn(C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C10H16BN2O4/c1-6-7(2)13(12-8(6)17-11-15)9(14)16-10(3,4)5/h15H,1-5H3
InChIKeyIMPPHHHDRJBXIO-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-Methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]oxyboronic acid
CID 142769664
(1-(tert-Butoxycarbonyl)-4,5-dimethyl-1H-pyrazol-3-yl)boronic acid
CID 167350626
[4,5-Dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]oxyboronic acid
CID 178855002

Frequently Asked Questions

What is the IUPAC name of CID 167350707?
The IUPAC name of CID 167350707 (CID 167350707) is not available.
What is the SMILES notation for CID 167350707?
The canonical SMILES for CID 167350707 is Cc1c(O[B]O)nn(C(=O)OC(C)(C)C)c1C.
What is the InChIKey of CID 167350707?
The InChIKey is IMPPHHHDRJBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN2O4/c1-6-7(2)13(12-8(6)17-11-15)9(14)16-10(3,4)5/h15H,1-5H3.
What are the key properties of CID 167350707?
CID 167350707 has a molecular weight of 239.06 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167350707 is sourced from PubChem (CID 167350707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).