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

C9H9BrClN — CID 70470751

IUPAC8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)CCCN2
InChIInChI=1S/C9H9BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2
InChIKeyFIGCYUUCCAJSQG-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.46
Rot. Bonds

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

8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 70470751) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID70470751
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)CCCN2
InChIInChI=1S/C9H9BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2
InChIKeyFIGCYUUCCAJSQG-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 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline (CID 70470751) is 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline is Clc1cc(Br)c2c(c1)CCCN2.
What is the InChIKey of 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is FIGCYUUCCAJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2.
What are the key properties of 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline?
8-bromo-6-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 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70470751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).