6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline

C9H9BrClN — CID 24699498

IUPAC6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2
InChIKeyFUAIZQKGSWRTIJ-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.46
Rot. Bonds

About 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline

6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 24699498) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID24699498
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2
InChIKeyFUAIZQKGSWRTIJ-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline (CID 24699498) is 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline is Clc1cc(Br)cc2c1NCCC2.
What is the InChIKey of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is FUAIZQKGSWRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h4-5,12H,1-3H2.
What are the key properties of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline?
6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 246.53 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 24699498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).