(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid

C10H8BClO3 — CID 162734834

IUPAC(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccc(Cl)cc2c1O
InChIInChI=1S/C10H8BClO3/c12-7-3-1-6-2-4-9(11(14)15)10(13)8(6)5-7/h1-5,13-15H
InChIKeyLISPRKGYJHLAGY-UHFFFAOYSA-N
MW222.44 g/mol
LogP0.88
Rot. Bonds1

About (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid

(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid (PubChem CID 162734834) has the molecular formula C10H8BClO3 and a molecular weight of 222.44 g/mol. Its IUPAC name is (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid
PubChem CID162734834
Molecular FormulaC10H8BClO3
Molecular Weight222.44 g/mol
Exact Mass222.03
IUPAC Name(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2ccc(Cl)cc2c1O
InChIInChI=1S/C10H8BClO3/c12-7-3-1-6-2-4-9(11(14)15)10(13)8(6)5-7/h1-5,13-15H
InChIKeyLISPRKGYJHLAGY-UHFFFAOYSA-N
XLogP0.88
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.44
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-chloro-1-hydroxynaphthalen-2-yl)boronic 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-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The IUPAC name of (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid (CID 162734834) is (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid.
What is the SMILES notation for (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The canonical SMILES for (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid is OB(O)c1ccc2ccc(Cl)cc2c1O.
What is the InChIKey of (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The InChIKey is LISPRKGYJHLAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BClO3/c12-7-3-1-6-2-4-9(11(14)15)10(13)8(6)5-7/h1-5,13-15H.
What are the key properties of (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
(7-chloro-1-hydroxynaphthalen-2-yl)boronic acid has a molecular weight of 222.44 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-hydroxynaphthalen-2-yl)boronic acid is sourced from PubChem (CID 162734834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).