2-[(2,6-dibromo-4-pyridinyl)amino]ethanol

C7H8Br2N2O — CID 138487954

IUPAC2-[(2,6-dibromo-4-pyridinyl)amino]ethanol
SMILESOCCNc1cc(Br)nc(Br)c1
InChIInChI=1S/C7H8Br2N2O/c8-6-3-5(10-1-2-12)4-7(9)11-6/h3-4,12H,1-2H2,(H,10,11)
InChIKeyOQQSAVORPBURKQ-UHFFFAOYSA-N
MW295.96 g/mol
LogP2.01
Rot. Bonds3

About 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol

2-[(2,6-dibromo-4-pyridinyl)amino]ethanol (PubChem CID 138487954) has the molecular formula C7H8Br2N2O and a molecular weight of 295.96 g/mol. Its IUPAC name is 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dibromo-4-pyridinyl)amino]ethanol
PubChem CID138487954
Molecular FormulaC7H8Br2N2O
Molecular Weight295.96 g/mol
Exact Mass293.90
IUPAC Name2-[(2,6-dibromo-4-pyridinyl)amino]ethanol
SMILESOCCNc1cc(Br)nc(Br)c1
InChIInChI=1S/C7H8Br2N2O/c8-6-3-5(10-1-2-12)4-7(9)11-6/h3-4,12H,1-2H2,(H,10,11)
InChIKeyOQQSAVORPBURKQ-UHFFFAOYSA-N
XLogP2.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 52.01
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 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol (CID 138487954) is 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol is OCCNc1cc(Br)nc(Br)c1.
What is the InChIKey of 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol?
The InChIKey is OQQSAVORPBURKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O/c8-6-3-5(10-1-2-12)4-7(9)11-6/h3-4,12H,1-2H2,(H,10,11).
What are the key properties of 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol?
2-[(2,6-dibromo-4-pyridinyl)amino]ethanol has a molecular weight of 295.96 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dibromo-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 138487954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).