(2-methyl-1H-quinolin-2-yl)boronic acid

C10H12BNO2 — CID 175507956

IUPAC(2-methyl-1H-quinolin-2-yl)boronic acid
SMILESCC1(B(O)O)C=Cc2ccccc2N1
InChIInChI=1S/C10H12BNO2/c1-10(11(13)14)7-6-8-4-2-3-5-9(8)12-10/h2-7,12-14H,1H3
InChIKeyWCSZIZUSDZZKPU-UHFFFAOYSA-N
MW189.02 g/mol
LogP0.90
Rot. Bonds1

About (2-methyl-1H-quinolin-2-yl)boronic acid

(2-methyl-1H-quinolin-2-yl)boronic acid (PubChem CID 175507956) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol. Its IUPAC name is (2-methyl-1H-quinolin-2-yl)boronic acid.

Molecular Properties

Compound Name(2-methyl-1H-quinolin-2-yl)boronic acid
PubChem CID175507956
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Name(2-methyl-1H-quinolin-2-yl)boronic acid
SMILESCC1(B(O)O)C=Cc2ccccc2N1
InChIInChI=1S/C10H12BNO2/c1-10(11(13)14)7-6-8-4-2-3-5-9(8)12-10/h2-7,12-14H,1H3
InChIKeyWCSZIZUSDZZKPU-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.90
H-Bond Donors ≤ 53
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 (2-methyl-1H-quinolin-2-yl)boronic acid?
The IUPAC name of (2-methyl-1H-quinolin-2-yl)boronic acid (CID 175507956) is (2-methyl-1H-quinolin-2-yl)boronic acid.
What is the SMILES notation for (2-methyl-1H-quinolin-2-yl)boronic acid?
The canonical SMILES for (2-methyl-1H-quinolin-2-yl)boronic acid is CC1(B(O)O)C=Cc2ccccc2N1.
What is the InChIKey of (2-methyl-1H-quinolin-2-yl)boronic acid?
The InChIKey is WCSZIZUSDZZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-10(11(13)14)7-6-8-4-2-3-5-9(8)12-10/h2-7,12-14H,1H3.
What are the key properties of (2-methyl-1H-quinolin-2-yl)boronic acid?
(2-methyl-1H-quinolin-2-yl)boronic acid has a molecular weight of 189.02 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-quinolin-2-yl)boronic acid is sourced from PubChem (CID 175507956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).