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

C9H10BrN — CID 16790038

IUPAC8-bromo-1,2,3,4-tetrahydroquinoline
SMILESBrc1cccc2c1NCCC2
InChIInChI=1S/C9H10BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
InChIKeyCGKLHAZLSZWPPY-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.81
Rot. Bonds

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

8-bromo-1,2,3,4-tetrahydroquinoline (PubChem CID 16790038) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrahydroquinoline
PubChem CID16790038
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name8-bromo-1,2,3,4-tetrahydroquinoline
SMILESBrc1cccc2c1NCCC2
InChIInChI=1S/C9H10BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2
InChIKeyCGKLHAZLSZWPPY-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-1,2,3,4-tetrahydroquinoline (CID 16790038) is 8-bromo-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-1,2,3,4-tetrahydroquinoline is Brc1cccc2c1NCCC2.
What is the InChIKey of 8-bromo-1,2,3,4-tetrahydroquinoline?
The InChIKey is CGKLHAZLSZWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2.
What are the key properties of 8-bromo-1,2,3,4-tetrahydroquinoline?
8-bromo-1,2,3,4-tetrahydroquinoline has a molecular weight of 212.09 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16790038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).