1-(2-bromoethyl)phenanthridine

C15H12BrN — CID 67188154

IUPAC1-(2-bromoethyl)phenanthridine
SMILESBrCCc1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H12BrN/c16-9-8-11-5-3-7-14-15(11)13-6-2-1-4-12(13)10-17-14/h1-7,10H,8-9H2
InChIKeyXQSSBTDJIQXCIM-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.33
Rot. Bonds2

About 1-(2-bromoethyl)phenanthridine

1-(2-bromoethyl)phenanthridine (PubChem CID 67188154) has the molecular formula C15H12BrN and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-(2-bromoethyl)phenanthridine.

Molecular Properties

Compound Name1-(2-bromoethyl)phenanthridine
PubChem CID67188154
Molecular FormulaC15H12BrN
Molecular Weight286.17 g/mol
Exact Mass285.02
IUPAC Name1-(2-bromoethyl)phenanthridine
SMILESBrCCc1cccc2ncc3ccccc3c12
InChIInChI=1S/C15H12BrN/c16-9-8-11-5-3-7-14-15(11)13-6-2-1-4-12(13)10-17-14/h1-7,10H,8-9H2
InChIKeyXQSSBTDJIQXCIM-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-phenanthridin-1-ylpropan-1-amine;hydroiodide
CID 174826270
2-phenanthridin-1-ylacetic acid
CID 141175956
1-bromophenanthridine;hydrate
CID 175162345
1-(2-bromoethyl)naphthalene;hydrofluoride
CID 174588408
phenanthridine-1-thiol
CID 135666738
phenanthridin-1-yl perchlorate
CID 88809375
phenanthridine
CID 9189
1,2-difluorophenanthridine
CID 175109006
1-phenanthridin-6-ylphenanthridine
CID 174646632
phenanthridine;platinum(2+)
CID 23616726
1-(2,2,2-trifluoroethylselanyl)phenanthridine
CID 155664091
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)phenanthridine?
The IUPAC name of 1-(2-bromoethyl)phenanthridine (CID 67188154) is 1-(2-bromoethyl)phenanthridine.
What is the SMILES notation for 1-(2-bromoethyl)phenanthridine?
The canonical SMILES for 1-(2-bromoethyl)phenanthridine is BrCCc1cccc2ncc3ccccc3c12.
What is the InChIKey of 1-(2-bromoethyl)phenanthridine?
The InChIKey is XQSSBTDJIQXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN/c16-9-8-11-5-3-7-14-15(11)13-6-2-1-4-12(13)10-17-14/h1-7,10H,8-9H2.
What are the key properties of 1-(2-bromoethyl)phenanthridine?
1-(2-bromoethyl)phenanthridine has a molecular weight of 286.17 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)phenanthridine is sourced from PubChem (CID 67188154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).