acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol

C17H16Br2N2O4 — CID 158511679

IUPACacetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol
SMILESCC=O.CC=O.Oc1ccc(-n2nc3ccc(O)cc3c2Br)c(Br)c1
InChIInChI=1S/C13H8Br2N2O2.2C2H4O/c14-10-6-8(19)2-4-12(10)17-13(15)9-5-7(18)1-3-11(9)16-17;2*1-2-3/h1-6,18-19H;2*2H,1H3
InChIKeyHLDDLFXXMISLCJ-UHFFFAOYSA-N
MW472.13 g/mol
LogP4.37
Rot. Bonds1

About acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol

acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol (PubChem CID 158511679) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol.

Molecular Properties

Compound Nameacetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol
PubChem CID158511679
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC Nameacetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol
SMILESCC=O.CC=O.Oc1ccc(-n2nc3ccc(O)cc3c2Br)c(Br)c1
InChIInChI=1S/C13H8Br2N2O2.2C2H4O/c14-10-6-8(19)2-4-12(10)17-13(15)9-5-7(18)1-3-11(9)16-17;2*1-2-3/h1-6,18-19H;2*2H,1H3
InChIKeyHLDDLFXXMISLCJ-UHFFFAOYSA-N
XLogP4.37
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol?
The IUPAC name of acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol (CID 158511679) is acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol.
What is the SMILES notation for acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol?
The canonical SMILES for acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol is CC=O.CC=O.Oc1ccc(-n2nc3ccc(O)cc3c2Br)c(Br)c1.
What is the InChIKey of acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol?
The InChIKey is HLDDLFXXMISLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O2.2C2H4O/c14-10-6-8(19)2-4-12(10)17-13(15)9-5-7(18)1-3-11(9)16-17;2*1-2-3/h1-6,18-19H;2*2H,1H3.
What are the key properties of acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol?
acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol has a molecular weight of 472.13 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;3-bromo-2-(2-bromo-4-hydroxyphenyl)indazol-5-ol is sourced from PubChem (CID 158511679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).