2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol

C12H8Br4N2O2 — CID 157060513

IUPAC2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol
SMILESO=Cc1cc(Br)ncc1Br.OCc1cc(Br)ncc1Br
InChIInChI=1S/C6H5Br2NO.C6H3Br2NO/c2*7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2;1-3H
InChIKeyABGXKXUOLMQBKW-UHFFFAOYSA-N
MW531.82 g/mol
LogP4.52
Rot. Bonds2

About 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol

2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol (PubChem CID 157060513) has the molecular formula C12H8Br4N2O2 and a molecular weight of 531.82 g/mol. Its IUPAC name is 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol.

Molecular Properties

Compound Name2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol
PubChem CID157060513
Molecular FormulaC12H8Br4N2O2
Molecular Weight531.82 g/mol
Exact Mass527.73
IUPAC Name2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol
SMILESO=Cc1cc(Br)ncc1Br.OCc1cc(Br)ncc1Br
InChIInChI=1S/C6H5Br2NO.C6H3Br2NO/c2*7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2;1-3H
InChIKeyABGXKXUOLMQBKW-UHFFFAOYSA-N
XLogP4.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol?
The IUPAC name of 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol (CID 157060513) is 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol.
What is the SMILES notation for 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol?
The canonical SMILES for 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol is O=Cc1cc(Br)ncc1Br.OCc1cc(Br)ncc1Br.
What is the InChIKey of 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol?
The InChIKey is ABGXKXUOLMQBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO.C6H3Br2NO/c2*7-5-2-9-6(8)1-4(5)3-10/h1-2,10H,3H2;1-3H.
What are the key properties of 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol?
2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol has a molecular weight of 531.82 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromopyridine-4-carbaldehyde;(2,5-dibromo-4-pyridinyl)methanol is sourced from PubChem (CID 157060513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).