N-bromophenanthridin-6-amine

C13H9BrN2 — CID 174804061

IUPACN-bromophenanthridin-6-amine
SMILESBrNc1nc2ccccc2c2ccccc12
InChIInChI=1S/C13H9BrN2/c14-16-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H,15,16)
InChIKeyTVDMAGAALAAQHK-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.11
Rot. Bonds1

About N-bromophenanthridin-6-amine

N-bromophenanthridin-6-amine (PubChem CID 174804061) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is N-bromophenanthridin-6-amine.

Molecular Properties

Compound NameN-bromophenanthridin-6-amine
PubChem CID174804061
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC NameN-bromophenanthridin-6-amine
SMILESBrNc1nc2ccccc2c2ccccc12
InChIInChI=1S/C13H9BrN2/c14-16-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H,15,16)
InChIKeyTVDMAGAALAAQHK-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromophenanthridin-6-amine?
The IUPAC name of N-bromophenanthridin-6-amine (CID 174804061) is N-bromophenanthridin-6-amine.
What is the SMILES notation for N-bromophenanthridin-6-amine?
The canonical SMILES for N-bromophenanthridin-6-amine is BrNc1nc2ccccc2c2ccccc12.
What is the InChIKey of N-bromophenanthridin-6-amine?
The InChIKey is TVDMAGAALAAQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-16-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H,(H,15,16).
What are the key properties of N-bromophenanthridin-6-amine?
N-bromophenanthridin-6-amine has a molecular weight of 273.13 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromophenanthridin-6-amine is sourced from PubChem (CID 174804061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).