7-borononaphthalene-1-carboxylic acid

C11H9BO4 — CID 71291408

IUPAC7-borononaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2ccc(B(O)O)cc12
InChIInChI=1S/C11H9BO4/c13-11(14)9-3-1-2-7-4-5-8(12(15)16)6-10(7)9/h1-6,15-16H,(H,13,14)
InChIKeyRKHXFEIFUQNOBW-UHFFFAOYSA-N
MW216.00 g/mol
LogP0.22
Rot. Bonds2

About 7-borononaphthalene-1-carboxylic acid

7-borononaphthalene-1-carboxylic acid (PubChem CID 71291408) has the molecular formula C11H9BO4 and a molecular weight of 216.00 g/mol. Its IUPAC name is 7-borononaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name7-borononaphthalene-1-carboxylic acid
PubChem CID71291408
Molecular FormulaC11H9BO4
Molecular Weight216.00 g/mol
Exact Mass216.06
IUPAC Name7-borononaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2ccc(B(O)O)cc12
InChIInChI=1S/C11H9BO4/c13-11(14)9-3-1-2-7-4-5-8(12(15)16)6-10(7)9/h1-6,15-16H,(H,13,14)
InChIKeyRKHXFEIFUQNOBW-UHFFFAOYSA-N
XLogP0.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.00
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-borononaphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-borononaphthalene-1-carboxylic acid?
The IUPAC name of 7-borononaphthalene-1-carboxylic acid (CID 71291408) is 7-borononaphthalene-1-carboxylic acid.
What is the SMILES notation for 7-borononaphthalene-1-carboxylic acid?
The canonical SMILES for 7-borononaphthalene-1-carboxylic acid is O=C(O)c1cccc2ccc(B(O)O)cc12.
What is the InChIKey of 7-borononaphthalene-1-carboxylic acid?
The InChIKey is RKHXFEIFUQNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BO4/c13-11(14)9-3-1-2-7-4-5-8(12(15)16)6-10(7)9/h1-6,15-16H,(H,13,14).
What are the key properties of 7-borononaphthalene-1-carboxylic acid?
7-borononaphthalene-1-carboxylic acid has a molecular weight of 216.00 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-borononaphthalene-1-carboxylic acid is sourced from PubChem (CID 71291408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).