3-bromo-5,6,7,8-tetrahydroquinoline

C9H10BrN — CID 53485154

IUPAC3-bromo-5,6,7,8-tetrahydroquinoline
SMILESBrc1cnc2c(c1)CCCC2
InChIInChI=1S/C9H10BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2
InChIKeyFKERWWYCYWMBHC-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.72
Rot. Bonds

About 3-bromo-5,6,7,8-tetrahydroquinoline

3-bromo-5,6,7,8-tetrahydroquinoline (PubChem CID 53485154) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 3-bromo-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3-bromo-5,6,7,8-tetrahydroquinoline
PubChem CID53485154
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name3-bromo-5,6,7,8-tetrahydroquinoline
SMILESBrc1cnc2c(c1)CCCC2
InChIInChI=1S/C9H10BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2
InChIKeyFKERWWYCYWMBHC-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3-bromo-5,6,7,8-tetrahydroquinoline (CID 53485154) is 3-bromo-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3-bromo-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3-bromo-5,6,7,8-tetrahydroquinoline is Brc1cnc2c(c1)CCCC2.
What is the InChIKey of 3-bromo-5,6,7,8-tetrahydroquinoline?
The InChIKey is FKERWWYCYWMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2.
What are the key properties of 3-bromo-5,6,7,8-tetrahydroquinoline?
3-bromo-5,6,7,8-tetrahydroquinoline has a molecular weight of 212.09 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 53485154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).