6-bromo-1,2,3,4-tetrahydroquinolin-4-ol

C9H10BrNO — CID 130137755

IUPAC6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
SMILESOC1CCNc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,9,11-12H,3-4H2
InChIKeyCSNWPRUFXLICMM-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.30
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol

6-bromo-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 130137755) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID130137755
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
SMILESOC1CCNc2ccc(Br)cc21
InChIInChI=1S/C9H10BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,9,11-12H,3-4H2
InChIKeyCSNWPRUFXLICMM-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5187018
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CID 53245328
(2-Amino-5-bromophenyl)(phenyl)methanol
CID 3305606
(2S,4R)-7-bromo-2-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
CID 49799450
1,2,3,4-Tetrahydroquinolin-4-ol
CID 287390
6-Bromo-1,2,3,4-tetrahydroquinolin-3-ol hydrochloride
CID 105515184
1,2,3,4-Tetrahydro-2-methyl-4-quinolinol
CID 147634
6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 12788064
6-bromo-4,4-dimethyl-2-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
CID 23435572
[2-[(5-Bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 43743125
[2-(4-Bromo-2-methylanilino)-4-fluorophenyl]methanol
CID 54258127
7-Fluoro-4-hydroxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 66625696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol (CID 130137755) is 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol is OC1CCNc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is CSNWPRUFXLICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol?
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 228.09 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 130137755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).