(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid

C10H8BClO3 — CID 156806580

IUPAC(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1c(O)cc2ccccc2c1Cl
InChIInChI=1S/C10H8BClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13-15H
InChIKeyZNWZICIJSWWRBL-UHFFFAOYSA-N
MW222.44 g/mol
LogP0.88
Rot. Bonds1

About (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid

(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid (PubChem CID 156806580) has the molecular formula C10H8BClO3 and a molecular weight of 222.44 g/mol. Its IUPAC name is (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid
PubChem CID156806580
Molecular FormulaC10H8BClO3
Molecular Weight222.44 g/mol
Exact Mass222.03
IUPAC Name(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1c(O)cc2ccccc2c1Cl
InChIInChI=1S/C10H8BClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13-15H
InChIKeyZNWZICIJSWWRBL-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'}

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Related Compounds

(3-chloro-2-hydroxynaphthalen-1-yl)boronic acid
CID 172762797
(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
CID 162734827
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
3-chloronaphthalen-1-ol
CID 23423080
2-chloroanthracene-1,3,9-triol
CID 90968006
(2-hydroxy-6-naphthalen-1-ylphenyl)boronic acid
CID 175463508
phenanthren-9-ylboronic acid
CID 158011086
phenanthrene-2,3-diol
CID 23048019
[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
CID 141173656
(2-phenanthren-9-ylnaphthalen-1-yl)boronic acid
CID 87663788
(8-chlorophenanthren-9-yl)boronic acid
CID 176907492

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid?
The IUPAC name of (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid (CID 156806580) is (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid.
What is the SMILES notation for (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid?
The canonical SMILES for (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid is OB(O)c1c(O)cc2ccccc2c1Cl.
What is the InChIKey of (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid?
The InChIKey is ZNWZICIJSWWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BClO3/c12-10-7-4-2-1-3-6(7)5-8(13)9(10)11(14)15/h1-5,13-15H.
What are the key properties of (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid?
(1-chloro-3-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 (1-chloro-3-hydroxynaphthalen-2-yl)boronic acid is sourced from PubChem (CID 156806580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).