2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid

C8H8BNO4 — CID 140844807

IUPAC2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccnc2c1OB(O)CC2
InChIInChI=1S/C8H8BNO4/c11-8(12)5-2-4-10-6-1-3-9(13)14-7(5)6/h2,4,13H,1,3H2,(H,11,12)
InChIKeyYFCVPKOIHTVLNL-UHFFFAOYSA-N
MW192.97 g/mol
LogP0.20
Rot. Bonds1

About 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid

2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid (PubChem CID 140844807) has the molecular formula C8H8BNO4 and a molecular weight of 192.97 g/mol. Its IUPAC name is 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid
PubChem CID140844807
Molecular FormulaC8H8BNO4
Molecular Weight192.97 g/mol
Exact Mass193.05
IUPAC Name2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid
SMILESO=C(O)c1ccnc2c1OB(O)CC2
InChIInChI=1S/C8H8BNO4/c11-8(12)5-2-4-10-6-1-3-9(13)14-7(5)6/h2,4,13H,1,3H2,(H,11,12)
InChIKeyYFCVPKOIHTVLNL-UHFFFAOYSA-N
XLogP0.20
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.97
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid?
The IUPAC name of 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid (CID 140844807) is 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid?
The canonical SMILES for 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid is O=C(O)c1ccnc2c1OB(O)CC2.
What is the InChIKey of 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid?
The InChIKey is YFCVPKOIHTVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO4/c11-8(12)5-2-4-10-6-1-3-9(13)14-7(5)6/h2,4,13H,1,3H2,(H,11,12).
What are the key properties of 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid?
2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid has a molecular weight of 192.97 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid is sourced from PubChem (CID 140844807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).