1-bromo-2,6-naphthyridin-3-amine

C8H6BrN3 — CID 5043457

IUPAC1-bromo-2,6-naphthyridin-3-amine
SMILESNc1cc2cnccc2c(Br)n1
InChIInChI=1S/C8H6BrN3/c9-8-6-1-2-11-4-5(6)3-7(10)12-8/h1-4H,(H2,10,12)
InChIKeyXCIQIUBGAYVLLE-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.97
Rot. Bonds

About 1-bromo-2,6-naphthyridin-3-amine

1-bromo-2,6-naphthyridin-3-amine (PubChem CID 5043457) has the molecular formula C8H6BrN3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 1-bromo-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name1-bromo-2,6-naphthyridin-3-amine
PubChem CID5043457
Molecular FormulaC8H6BrN3
Molecular Weight224.06 g/mol
Exact Mass222.97
IUPAC Name1-bromo-2,6-naphthyridin-3-amine
SMILESNc1cc2cnccc2c(Br)n1
InChIInChI=1S/C8H6BrN3/c9-8-6-1-2-11-4-5(6)3-7(10)12-8/h1-4H,(H2,10,12)
InChIKeyXCIQIUBGAYVLLE-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,6-naphthyridin-3-amine?
The IUPAC name of 1-bromo-2,6-naphthyridin-3-amine (CID 5043457) is 1-bromo-2,6-naphthyridin-3-amine.
What is the SMILES notation for 1-bromo-2,6-naphthyridin-3-amine?
The canonical SMILES for 1-bromo-2,6-naphthyridin-3-amine is Nc1cc2cnccc2c(Br)n1.
What is the InChIKey of 1-bromo-2,6-naphthyridin-3-amine?
The InChIKey is XCIQIUBGAYVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3/c9-8-6-1-2-11-4-5(6)3-7(10)12-8/h1-4H,(H2,10,12).
What are the key properties of 1-bromo-2,6-naphthyridin-3-amine?
1-bromo-2,6-naphthyridin-3-amine has a molecular weight of 224.06 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,6-naphthyridin-3-amine is sourced from PubChem (CID 5043457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).