(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid

C5H7BN2O3 — CID 91882852

IUPAC(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
SMILESNc1cc(=O)c(B(O)O)c[nH]1
InChIInChI=1S/C5H7BN2O3/c7-5-1-4(9)3(2-8-5)6(10)11/h1-2,10-11H,(H3,7,8,9)
InChIKeyBUISSXXILCJQQD-UHFFFAOYSA-N
MW153.93 g/mol
LogP-2.36
Rot. Bonds1

About (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid

(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid (PubChem CID 91882852) has the molecular formula C5H7BN2O3 and a molecular weight of 153.93 g/mol. Its IUPAC name is (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
PubChem CID91882852
Molecular FormulaC5H7BN2O3
Molecular Weight153.93 g/mol
Exact Mass154.05
IUPAC Name(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid
SMILESNc1cc(=O)c(B(O)O)c[nH]1
InChIInChI=1S/C5H7BN2O3/c7-5-1-4(9)3(2-8-5)6(10)11/h1-2,10-11H,(H3,7,8,9)
InChIKeyBUISSXXILCJQQD-UHFFFAOYSA-N
XLogP-2.36
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.93
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
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 (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid?
The IUPAC name of (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid (CID 91882852) is (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid.
What is the SMILES notation for (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid?
The canonical SMILES for (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid is Nc1cc(=O)c(B(O)O)c[nH]1.
What is the InChIKey of (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid?
The InChIKey is BUISSXXILCJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BN2O3/c7-5-1-4(9)3(2-8-5)6(10)11/h1-2,10-11H,(H3,7,8,9).
What are the key properties of (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid?
(6-amino-4-oxo-1H-pyridin-3-yl)boronic acid has a molecular weight of 153.93 g/mol, XLogP of -2.36, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-oxo-1H-pyridin-3-yl)boronic acid is sourced from PubChem (CID 91882852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).