2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine

C14H11Br3O4 — CID 162110938

IUPAC2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine
SMILESBrBr.O=Cc1cc(O)ccc1Br.O=Cc1cccc(O)c1
InChIInChI=1S/C7H5BrO2.C7H6O2.Br2/c8-7-2-1-6(10)3-5(7)4-9;8-5-6-2-1-3-7(9)4-6;1-2/h1-4,10H;1-5,9H;
InChIKeyZGDJSDRSHZXBDI-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.86
Rot. Bonds2

About 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine

2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine (PubChem CID 162110938) has the molecular formula C14H11Br3O4 and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine.

Molecular Properties

Compound Name2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine
PubChem CID162110938
Molecular FormulaC14H11Br3O4
Molecular Weight482.95 g/mol
Exact Mass479.82
IUPAC Name2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine
SMILESBrBr.O=Cc1cc(O)ccc1Br.O=Cc1cccc(O)c1
InChIInChI=1S/C7H5BrO2.C7H6O2.Br2/c8-7-2-1-6(10)3-5(7)4-9;8-5-6-2-1-3-7(9)4-6;1-2/h1-4,10H;1-5,9H;
InChIKeyZGDJSDRSHZXBDI-UHFFFAOYSA-N
XLogP4.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
4-acetyl-3-hydroxybenzaldehyde;2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 160602944
3-bromobenzaldehyde;hydrobromide
CID 87841856
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-bromo-5-[2-(dimethylamino)ethoxy]benzaldehyde;2-bromo-5-hydroxybenzaldehyde;2-chloro-N,N-dimethylethanamine
CID 160902617
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-[(E)-2-bromoethenyl]phenol
CID 74892827
3-bromobenzaldehyde;ethane
CID 91121301
5-amino-2-bromobenzaldehyde
CID 82397542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine?
The IUPAC name of 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine (CID 162110938) is 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine.
What is the SMILES notation for 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine?
The canonical SMILES for 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine is BrBr.O=Cc1cc(O)ccc1Br.O=Cc1cccc(O)c1.
What is the InChIKey of 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine?
The InChIKey is ZGDJSDRSHZXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.C7H6O2.Br2/c8-7-2-1-6(10)3-5(7)4-9;8-5-6-2-1-3-7(9)4-6;1-2/h1-4,10H;1-5,9H;.
What are the key properties of 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine?
2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine has a molecular weight of 482.95 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine is sourced from PubChem (CID 162110938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).