1,2,3,4-tetrahydroquinolin-6-ylboronic acid

C9H12BNO2 — CID 69113319

IUPAC1,2,3,4-tetrahydroquinolin-6-ylboronic acid
SMILESOB(O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H12BNO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11-13H,1-2,5H2
InChIKeyNNOYRLPTLGLLOB-UHFFFAOYSA-N
MW177.01 g/mol
LogP-0.28
Rot. Bonds1

About 1,2,3,4-tetrahydroquinolin-6-ylboronic acid

1,2,3,4-tetrahydroquinolin-6-ylboronic acid (PubChem CID 69113319) has the molecular formula C9H12BNO2 and a molecular weight of 177.01 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-6-ylboronic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-6-ylboronic acid
PubChem CID69113319
Molecular FormulaC9H12BNO2
Molecular Weight177.01 g/mol
Exact Mass177.10
IUPAC Name1,2,3,4-tetrahydroquinolin-6-ylboronic acid
SMILESOB(O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C9H12BNO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11-13H,1-2,5H2
InChIKeyNNOYRLPTLGLLOB-UHFFFAOYSA-N
XLogP-0.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.01
LogP ≤ 5-0.28
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

methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
6-ethynyl-1,2,3,4-tetrahydroquinoline
CID 19702071
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
2-(1,2,3,4-tetrahydroquinolin-6-yl)acetonitrile
CID 116997937
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
4-(1,2,3,4-tetrahydroquinolin-6-yl)benzonitrile
CID 23004946

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-6-ylboronic acid?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-6-ylboronic acid (CID 69113319) is 1,2,3,4-tetrahydroquinolin-6-ylboronic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-6-ylboronic acid?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-6-ylboronic acid is OB(O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-6-ylboronic acid?
The InChIKey is NNOYRLPTLGLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BNO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11-13H,1-2,5H2.
What are the key properties of 1,2,3,4-tetrahydroquinolin-6-ylboronic acid?
1,2,3,4-tetrahydroquinolin-6-ylboronic acid has a molecular weight of 177.01 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-6-ylboronic acid is sourced from PubChem (CID 69113319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).