2-bromo-2,3-dihydroquinoline

C9H8BrN — CID 90942123

IUPAC2-bromo-2,3-dihydroquinoline
SMILESBrC1CC=c2ccccc2=N1
InChIInChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,9H,6H2
InChIKeyDQOPGXBUEVLMKX-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.21
Rot. Bonds

About 2-bromo-2,3-dihydroquinoline

2-bromo-2,3-dihydroquinoline (PubChem CID 90942123) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-2,3-dihydroquinoline.

Molecular Properties

Compound Name2-bromo-2,3-dihydroquinoline
PubChem CID90942123
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name2-bromo-2,3-dihydroquinoline
SMILESBrC1CC=c2ccccc2=N1
InChIInChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,9H,6H2
InChIKeyDQOPGXBUEVLMKX-UHFFFAOYSA-N
XLogP1.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3-dihydroquinoline?
The IUPAC name of 2-bromo-2,3-dihydroquinoline (CID 90942123) is 2-bromo-2,3-dihydroquinoline.
What is the SMILES notation for 2-bromo-2,3-dihydroquinoline?
The canonical SMILES for 2-bromo-2,3-dihydroquinoline is BrC1CC=c2ccccc2=N1.
What is the InChIKey of 2-bromo-2,3-dihydroquinoline?
The InChIKey is DQOPGXBUEVLMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-5,9H,6H2.
What are the key properties of 2-bromo-2,3-dihydroquinoline?
2-bromo-2,3-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-dihydroquinoline is sourced from PubChem (CID 90942123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).