7,8-dibromo-1,2,3,4-tetrahydroquinoline

C9H9Br2N — CID 70471236

IUPAC7,8-dibromo-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccc2c(c1Br)NCCC2
InChIInChI=1S/C9H9Br2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h3-4,12H,1-2,5H2
InChIKeyJLVPKHZXTYJQFF-UHFFFAOYSA-N
MW290.99 g/mol
LogP3.57
Rot. Bonds

About 7,8-dibromo-1,2,3,4-tetrahydroquinoline

7,8-dibromo-1,2,3,4-tetrahydroquinoline (PubChem CID 70471236) has the molecular formula C9H9Br2N and a molecular weight of 290.99 g/mol. Its IUPAC name is 7,8-dibromo-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7,8-dibromo-1,2,3,4-tetrahydroquinoline
PubChem CID70471236
Molecular FormulaC9H9Br2N
Molecular Weight290.99 g/mol
Exact Mass288.91
IUPAC Name7,8-dibromo-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccc2c(c1Br)NCCC2
InChIInChI=1S/C9H9Br2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h3-4,12H,1-2,5H2
InChIKeyJLVPKHZXTYJQFF-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.99
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dibromo-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7,8-dibromo-1,2,3,4-tetrahydroquinoline (CID 70471236) is 7,8-dibromo-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7,8-dibromo-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7,8-dibromo-1,2,3,4-tetrahydroquinoline is Brc1ccc2c(c1Br)NCCC2.
What is the InChIKey of 7,8-dibromo-1,2,3,4-tetrahydroquinoline?
The InChIKey is JLVPKHZXTYJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h3-4,12H,1-2,5H2.
What are the key properties of 7,8-dibromo-1,2,3,4-tetrahydroquinoline?
7,8-dibromo-1,2,3,4-tetrahydroquinoline has a molecular weight of 290.99 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dibromo-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70471236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).