bromomethylbenzene;quinoline

C16H14BrN — CID 23497775

IUPACbromomethylbenzene;quinoline
SMILESBrCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7Br/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H,6H2
InChIKeyACXDEPRFOBOBDA-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.82
Rot. Bonds1

About bromomethylbenzene;quinoline

bromomethylbenzene;quinoline (PubChem CID 23497775) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is bromomethylbenzene;quinoline.

Molecular Properties

Compound Namebromomethylbenzene;quinoline
PubChem CID23497775
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Namebromomethylbenzene;quinoline
SMILESBrCc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H7Br/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H,6H2
InChIKeyACXDEPRFOBOBDA-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethylbenzene;quinoline?
The IUPAC name of bromomethylbenzene;quinoline (CID 23497775) is bromomethylbenzene;quinoline.
What is the SMILES notation for bromomethylbenzene;quinoline?
The canonical SMILES for bromomethylbenzene;quinoline is BrCc1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of bromomethylbenzene;quinoline?
The InChIKey is ACXDEPRFOBOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H7Br/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-7-4-2-1-3-5-7/h1-7H;1-5H,6H2.
What are the key properties of bromomethylbenzene;quinoline?
bromomethylbenzene;quinoline has a molecular weight of 300.20 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylbenzene;quinoline is sourced from PubChem (CID 23497775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).