9-bromobenzo[f][2,7]naphthyridin-4-amine

C12H8BrN3 — CID 69170958

IUPAC9-bromobenzo[f][2,7]naphthyridin-4-amine
SMILESNc1nccc2c1cnc1ccc(Br)cc12
InChIInChI=1S/C12H8BrN3/c13-7-1-2-11-9(5-7)8-3-4-15-12(14)10(8)6-16-11/h1-6H,(H2,14,15)
InChIKeyJJWWMXVCPDMUGW-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.13
Rot. Bonds

About 9-bromobenzo[f][2,7]naphthyridin-4-amine

9-bromobenzo[f][2,7]naphthyridin-4-amine (PubChem CID 69170958) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 9-bromobenzo[f][2,7]naphthyridin-4-amine.

Molecular Properties

Compound Name9-bromobenzo[f][2,7]naphthyridin-4-amine
PubChem CID69170958
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name9-bromobenzo[f][2,7]naphthyridin-4-amine
SMILESNc1nccc2c1cnc1ccc(Br)cc12
InChIInChI=1S/C12H8BrN3/c13-7-1-2-11-9(5-7)8-3-4-15-12(14)10(8)6-16-11/h1-6H,(H2,14,15)
InChIKeyJJWWMXVCPDMUGW-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[f][2,7]naphthyridin-4-amine?
The IUPAC name of 9-bromobenzo[f][2,7]naphthyridin-4-amine (CID 69170958) is 9-bromobenzo[f][2,7]naphthyridin-4-amine.
What is the SMILES notation for 9-bromobenzo[f][2,7]naphthyridin-4-amine?
The canonical SMILES for 9-bromobenzo[f][2,7]naphthyridin-4-amine is Nc1nccc2c1cnc1ccc(Br)cc12.
What is the InChIKey of 9-bromobenzo[f][2,7]naphthyridin-4-amine?
The InChIKey is JJWWMXVCPDMUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-7-1-2-11-9(5-7)8-3-4-15-12(14)10(8)6-16-11/h1-6H,(H2,14,15).
What are the key properties of 9-bromobenzo[f][2,7]naphthyridin-4-amine?
9-bromobenzo[f][2,7]naphthyridin-4-amine has a molecular weight of 274.12 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[f][2,7]naphthyridin-4-amine is sourced from PubChem (CID 69170958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).