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

C9H10BrNO — CID 83756313

IUPAC6-bromo-1,2,3,4-tetrahydroquinolin-3-ol
SMILESOC1CNc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-3,8,11-12H,4-5H2
InChIKeyDCQSFUBAGRYUJR-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.78
Rot. Bonds

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

6-bromo-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 83756313) 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-3-ol.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID83756313
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name6-bromo-1,2,3,4-tetrahydroquinolin-3-ol
SMILESOC1CNc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-3,8,11-12H,4-5H2
InChIKeyDCQSFUBAGRYUJR-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol (CID 83756313) is 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol is OC1CNc2ccc(Br)cc2C1.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is DCQSFUBAGRYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-3,8,11-12H,4-5H2.
What are the key properties of 6-bromo-1,2,3,4-tetrahydroquinolin-3-ol?
6-bromo-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 228.09 g/mol, XLogP of 1.78, 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-3-ol is sourced from PubChem (CID 83756313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).