3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol

C9H9BrClNO — CID 156850425

IUPAC3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol
SMILESOC1CCCc2c1ncc(Br)c2Cl
InChIInChI=1S/C9H9BrClNO/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13/h4,7,13H,1-3H2
InChIKeyRGFSHFMHJZRKLS-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.87
Rot. Bonds

About 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol

3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 156850425) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID156850425
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol
SMILESOC1CCCc2c1ncc(Br)c2Cl
InChIInChI=1S/C9H9BrClNO/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13/h4,7,13H,1-3H2
InChIKeyRGFSHFMHJZRKLS-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol (CID 156850425) is 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol is OC1CCCc2c1ncc(Br)c2Cl.
What is the InChIKey of 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is RGFSHFMHJZRKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-6-4-12-9-5(8(6)11)2-1-3-7(9)13/h4,7,13H,1-3H2.
What are the key properties of 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol?
3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 262.53 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 156850425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).