3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol

C12H10Br2I2N4O — CID 159280570

IUPAC3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol
SMILESNc1ncc(I)cc1Br.OCC=Nc1ncc(I)cc1Br
InChIInChI=1S/C7H6BrIN2O.C5H4BrIN2/c8-6-3-5(9)4-11-7(6)10-1-2-12;6-4-1-3(7)2-9-5(4)8/h1,3-4,12H,2H2;1-2H,(H2,8,9)
InChIKeyKYWBGCZJEOMVMI-UHFFFAOYSA-N
MW639.85 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol

3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol (PubChem CID 159280570) has the molecular formula C12H10Br2I2N4O and a molecular weight of 639.85 g/mol. Its IUPAC name is 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol.

Molecular Properties

Compound Name3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol
PubChem CID159280570
Molecular FormulaC12H10Br2I2N4O
Molecular Weight639.85 g/mol
Exact Mass637.73
IUPAC Name3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol
SMILESNc1ncc(I)cc1Br.OCC=Nc1ncc(I)cc1Br
InChIInChI=1S/C7H6BrIN2O.C5H4BrIN2/c8-6-3-5(9)4-11-7(6)10-1-2-12;6-4-1-3(7)2-9-5(4)8/h1,3-4,12H,2H2;1-2H,(H2,8,9)
InChIKeyKYWBGCZJEOMVMI-UHFFFAOYSA-N
XLogP4.17
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.85
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol?
The IUPAC name of 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol (CID 159280570) is 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol.
What is the SMILES notation for 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol?
The canonical SMILES for 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol is Nc1ncc(I)cc1Br.OCC=Nc1ncc(I)cc1Br.
What is the InChIKey of 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol?
The InChIKey is KYWBGCZJEOMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN2O.C5H4BrIN2/c8-6-3-5(9)4-11-7(6)10-1-2-12;6-4-1-3(7)2-9-5(4)8/h1,3-4,12H,2H2;1-2H,(H2,8,9).
What are the key properties of 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol?
3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol has a molecular weight of 639.85 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodopyridin-2-amine;2-[(3-bromo-5-iodo-2-pyridinyl)imino]ethanol is sourced from PubChem (CID 159280570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).