3-amino-2,6-dibromopyridine-4-carboxamide

C6H5Br2N3O — CID 75539554

IUPAC3-amino-2,6-dibromopyridine-4-carboxamide
SMILESNC(=O)c1cc(Br)nc(Br)c1N
InChIInChI=1S/C6H5Br2N3O/c7-3-1-2(6(10)12)4(9)5(8)11-3/h1H,9H2,(H2,10,12)
InChIKeyVGJWGWNFBHCUDK-UHFFFAOYSA-N
MW294.93 g/mol
LogP1.29
Rot. Bonds1

About 3-amino-2,6-dibromopyridine-4-carboxamide

3-amino-2,6-dibromopyridine-4-carboxamide (PubChem CID 75539554) has the molecular formula C6H5Br2N3O and a molecular weight of 294.93 g/mol. Its IUPAC name is 3-amino-2,6-dibromopyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-2,6-dibromopyridine-4-carboxamide
PubChem CID75539554
Molecular FormulaC6H5Br2N3O
Molecular Weight294.93 g/mol
Exact Mass292.88
IUPAC Name3-amino-2,6-dibromopyridine-4-carboxamide
SMILESNC(=O)c1cc(Br)nc(Br)c1N
InChIInChI=1S/C6H5Br2N3O/c7-3-1-2(6(10)12)4(9)5(8)11-3/h1H,9H2,(H2,10,12)
InChIKeyVGJWGWNFBHCUDK-UHFFFAOYSA-N
XLogP1.29
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 51.29
H-Bond Donors ≤ 52
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 3-amino-2,6-dibromopyridine-4-carboxamide?
The IUPAC name of 3-amino-2,6-dibromopyridine-4-carboxamide (CID 75539554) is 3-amino-2,6-dibromopyridine-4-carboxamide.
What is the SMILES notation for 3-amino-2,6-dibromopyridine-4-carboxamide?
The canonical SMILES for 3-amino-2,6-dibromopyridine-4-carboxamide is NC(=O)c1cc(Br)nc(Br)c1N.
What is the InChIKey of 3-amino-2,6-dibromopyridine-4-carboxamide?
The InChIKey is VGJWGWNFBHCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2N3O/c7-3-1-2(6(10)12)4(9)5(8)11-3/h1H,9H2,(H2,10,12).
What are the key properties of 3-amino-2,6-dibromopyridine-4-carboxamide?
3-amino-2,6-dibromopyridine-4-carboxamide has a molecular weight of 294.93 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dibromopyridine-4-carboxamide is sourced from PubChem (CID 75539554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).