3-(4-bromophenyl)-5-iodobenzaldehyde

C13H8BrIO — CID 139260528

IUPAC3-(4-bromophenyl)-5-iodobenzaldehyde
SMILESO=Cc1cc(I)cc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H8BrIO/c14-12-3-1-10(2-4-12)11-5-9(8-16)6-13(15)7-11/h1-8H
InChIKeyVQHRJLUXHDWKCV-UHFFFAOYSA-N
MW387.01 g/mol
LogP4.53
Rot. Bonds2

About 3-(4-bromophenyl)-5-iodobenzaldehyde

3-(4-bromophenyl)-5-iodobenzaldehyde (PubChem CID 139260528) has the molecular formula C13H8BrIO and a molecular weight of 387.01 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-iodobenzaldehyde.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-iodobenzaldehyde
PubChem CID139260528
Molecular FormulaC13H8BrIO
Molecular Weight387.01 g/mol
Exact Mass385.88
IUPAC Name3-(4-bromophenyl)-5-iodobenzaldehyde
SMILESO=Cc1cc(I)cc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H8BrIO/c14-12-3-1-10(2-4-12)11-5-9(8-16)6-13(15)7-11/h1-8H
InChIKeyVQHRJLUXHDWKCV-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.01
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
4-[4-(4-iodophenyl)phenyl]benzaldehyde
CID 58568967
bis(4-bromobenzaldehyde);hydrate
CID 174866505
5-[4-[1,2,2-tris[4-(3,5-diformylphenyl)phenyl]ethenyl]phenyl]benzene-1,3-dicarbaldehyde
CID 166638041
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
acetylene;bicyclo[3.1.0]hexa-1(6),2,4-triene-3-carbaldehyde
CID 175350656
1-bromo-4-iodobenzene;formyl chloride
CID 161442464
4-(3,5-dibromo-4-methylphenyl)benzaldehyde
CID 164893108
4-(4-bromophenyl)thiophene-2-carbaldehyde
CID 82379664
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
3-bromo-5-(2,6-dimethylphenyl)benzaldehyde
CID 166643066

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-iodobenzaldehyde?
The IUPAC name of 3-(4-bromophenyl)-5-iodobenzaldehyde (CID 139260528) is 3-(4-bromophenyl)-5-iodobenzaldehyde.
What is the SMILES notation for 3-(4-bromophenyl)-5-iodobenzaldehyde?
The canonical SMILES for 3-(4-bromophenyl)-5-iodobenzaldehyde is O=Cc1cc(I)cc(-c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-5-iodobenzaldehyde?
The InChIKey is VQHRJLUXHDWKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrIO/c14-12-3-1-10(2-4-12)11-5-9(8-16)6-13(15)7-11/h1-8H.
What are the key properties of 3-(4-bromophenyl)-5-iodobenzaldehyde?
3-(4-bromophenyl)-5-iodobenzaldehyde has a molecular weight of 387.01 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-iodobenzaldehyde is sourced from PubChem (CID 139260528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).