2,6-dibromopyridin-3-amine

C5H4Br2N2 — CID 817678

IUPAC2,6-dibromopyridin-3-amine
SMILESNc1ccc(Br)nc1Br
InChIInChI=1S/C5H4Br2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKeyCRTOIQFRVBJJRI-UHFFFAOYSA-N
MW251.91 g/mol
LogP2.19
Rot. Bonds

About 2,6-dibromopyridin-3-amine

2,6-dibromopyridin-3-amine (PubChem CID 817678) has the molecular formula C5H4Br2N2 and a molecular weight of 251.91 g/mol. Its IUPAC name is 2,6-dibromopyridin-3-amine.

Molecular Properties

Compound Name2,6-dibromopyridin-3-amine
PubChem CID817678
Molecular FormulaC5H4Br2N2
Molecular Weight251.91 g/mol
Exact Mass249.87
IUPAC Name2,6-dibromopyridin-3-amine
SMILESNc1ccc(Br)nc1Br
InChIInChI=1S/C5H4Br2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKeyCRTOIQFRVBJJRI-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.91
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,6-dibromopyridin-3-amine?
The IUPAC name of 2,6-dibromopyridin-3-amine (CID 817678) is 2,6-dibromopyridin-3-amine.
What is the SMILES notation for 2,6-dibromopyridin-3-amine?
The canonical SMILES for 2,6-dibromopyridin-3-amine is Nc1ccc(Br)nc1Br.
What is the InChIKey of 2,6-dibromopyridin-3-amine?
The InChIKey is CRTOIQFRVBJJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2.
What are the key properties of 2,6-dibromopyridin-3-amine?
2,6-dibromopyridin-3-amine has a molecular weight of 251.91 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromopyridin-3-amine is sourced from PubChem (CID 817678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).