(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid

C8H7BN2O3 — CID 89425879

IUPAC(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid
SMILESO=c1ccc2cc(B(O)O)cnc2[nH]1
InChIInChI=1S/C8H7BN2O3/c12-7-2-1-5-3-6(9(13)14)4-10-8(5)11-7/h1-4,13-14H,(H,10,11,12)
InChIKeyUONUPAGJHBYFSV-UHFFFAOYSA-N
MW189.97 g/mol
LogP-1.40
Rot. Bonds1

About (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid

(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid (PubChem CID 89425879) has the molecular formula C8H7BN2O3 and a molecular weight of 189.97 g/mol. Its IUPAC name is (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid.

Molecular Properties

Compound Name(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid
PubChem CID89425879
Molecular FormulaC8H7BN2O3
Molecular Weight189.97 g/mol
Exact Mass190.05
IUPAC Name(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid
SMILESO=c1ccc2cc(B(O)O)cnc2[nH]1
InChIInChI=1S/C8H7BN2O3/c12-7-2-1-5-3-6(9(13)14)4-10-8(5)11-7/h1-4,13-14H,(H,10,11,12)
InChIKeyUONUPAGJHBYFSV-UHFFFAOYSA-N
XLogP-1.40
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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 (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid?
The IUPAC name of (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid (CID 89425879) is (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid.
What is the SMILES notation for (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid?
The canonical SMILES for (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid is O=c1ccc2cc(B(O)O)cnc2[nH]1.
What is the InChIKey of (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid?
The InChIKey is UONUPAGJHBYFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BN2O3/c12-7-2-1-5-3-6(9(13)14)4-10-8(5)11-7/h1-4,13-14H,(H,10,11,12).
What are the key properties of (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid?
(7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid has a molecular weight of 189.97 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-8H-1,8-naphthyridin-3-yl)boronic acid is sourced from PubChem (CID 89425879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).