(4-chloro-8-methylquinolin-6-yl)boronic acid

C10H9BClNO2 — CID 140881819

IUPAC(4-chloro-8-methylquinolin-6-yl)boronic acid
SMILESCc1cc(B(O)O)cc2c(Cl)ccnc12
InChIInChI=1S/C10H9BClNO2/c1-6-4-7(11(14)15)5-8-9(12)2-3-13-10(6)8/h2-5,14-15H,1H3
InChIKeyPKRICFALEKHZPK-UHFFFAOYSA-N
MW221.45 g/mol
LogP0.88
Rot. Bonds1

About (4-chloro-8-methylquinolin-6-yl)boronic acid

(4-chloro-8-methylquinolin-6-yl)boronic acid (PubChem CID 140881819) has the molecular formula C10H9BClNO2 and a molecular weight of 221.45 g/mol. Its IUPAC name is (4-chloro-8-methylquinolin-6-yl)boronic acid.

Molecular Properties

Compound Name(4-chloro-8-methylquinolin-6-yl)boronic acid
PubChem CID140881819
Molecular FormulaC10H9BClNO2
Molecular Weight221.45 g/mol
Exact Mass221.04
IUPAC Name(4-chloro-8-methylquinolin-6-yl)boronic acid
SMILESCc1cc(B(O)O)cc2c(Cl)ccnc12
InChIInChI=1S/C10H9BClNO2/c1-6-4-7(11(14)15)5-8-9(12)2-3-13-10(6)8/h2-5,14-15H,1H3
InChIKeyPKRICFALEKHZPK-UHFFFAOYSA-N
XLogP0.88
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4-chloro-8-methylquinolin-6-yl)boronic acid?
The IUPAC name of (4-chloro-8-methylquinolin-6-yl)boronic acid (CID 140881819) is (4-chloro-8-methylquinolin-6-yl)boronic acid.
What is the SMILES notation for (4-chloro-8-methylquinolin-6-yl)boronic acid?
The canonical SMILES for (4-chloro-8-methylquinolin-6-yl)boronic acid is Cc1cc(B(O)O)cc2c(Cl)ccnc12.
What is the InChIKey of (4-chloro-8-methylquinolin-6-yl)boronic acid?
The InChIKey is PKRICFALEKHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BClNO2/c1-6-4-7(11(14)15)5-8-9(12)2-3-13-10(6)8/h2-5,14-15H,1H3.
What are the key properties of (4-chloro-8-methylquinolin-6-yl)boronic acid?
(4-chloro-8-methylquinolin-6-yl)boronic acid has a molecular weight of 221.45 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-8-methylquinolin-6-yl)boronic acid is sourced from PubChem (CID 140881819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).