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

C10H8BClO3 — CID 162734827

IUPAC(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1c(Cl)cc2ccccc2c1O
InChIInChI=1S/C10H8BClO3/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,13-15H
InChIKeyRVFWZQRSCRQETR-UHFFFAOYSA-N
MW222.44 g/mol
LogP0.88
Rot. Bonds1

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

(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid (PubChem CID 162734827) has the molecular formula C10H8BClO3 and a molecular weight of 222.44 g/mol. Its IUPAC name is (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
PubChem CID162734827
Molecular FormulaC10H8BClO3
Molecular Weight222.44 g/mol
Exact Mass222.03
IUPAC Name(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1c(Cl)cc2ccccc2c1O
InChIInChI=1S/C10H8BClO3/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,13-15H
InChIKeyRVFWZQRSCRQETR-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
(1-chloro-3-hydroxynaphthalen-2-yl)boronic acid
CID 156806580
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
CID 23311022
anthracen-9-ylboronic acid;9-bromoanthracene
CID 157130020
(8-chlorophenanthren-9-yl)boronic acid
CID 176907492
phenanthren-9-ylboronic acid
CID 158011086
6,7-dichloronaphthalen-1-ol
CID 82254274
[4-(2-phenylphenyl)anthracen-9-yl]boronic acid
CID 141173656
2-chloroanthracene-1,3,9-triol
CID 90968006
(2-phenanthren-9-ylnaphthalen-1-yl)boronic acid
CID 87663788
3-chloronaphthalen-1-ol
CID 23423080
[2,3-bis(ethenyl)naphthalen-1-yl]boronic acid;ethane
CID 142377515

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The IUPAC name of (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid (CID 162734827) is (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid.
What is the SMILES notation for (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The canonical SMILES for (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid is OB(O)c1c(Cl)cc2ccccc2c1O.
What is the InChIKey of (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
The InChIKey is RVFWZQRSCRQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BClO3/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,13-15H.
What are the key properties of (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid?
(3-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 (3-chloro-1-hydroxynaphthalen-2-yl)boronic acid is sourced from PubChem (CID 162734827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).