5-bromo-2-chlorobenzaldehyde

C7H4BrClO — CID 10608925

IUPAC5-bromo-2-chlorobenzaldehyde
SMILESO=Cc1cc(Br)ccc1Cl
InChIInChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKeyDPKKRQAEYWOISP-UHFFFAOYSA-N
MW219.47 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-2-chlorobenzaldehyde

5-bromo-2-chlorobenzaldehyde (PubChem CID 10608925) has the molecular formula C7H4BrClO and a molecular weight of 219.47 g/mol. Its IUPAC name is 5-bromo-2-chlorobenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-chlorobenzaldehyde
PubChem CID10608925
Molecular FormulaC7H4BrClO
Molecular Weight219.47 g/mol
Exact Mass217.91
IUPAC Name5-bromo-2-chlorobenzaldehyde
SMILESO=Cc1cc(Br)ccc1Cl
InChIInChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKeyDPKKRQAEYWOISP-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chlorobenzaldehyde
CID 6996
3-Bromobenzaldehyde
CID 76583
5-Bromo-2-chlorobenzoyl chloride
CID 2756871
2-Bromo-5-chlorobenzaldehyde
CID 15391279
2-Bromo-4-chlorobenzaldehyde
CID 13154710
2-Bromo-6-chlorobenzaldehyde
CID 13524042
1-(5-Bromo-2-chlorophenyl)ethan-1-one
CID 13628145
4-Bromo-3-chlorobenzaldehyde
CID 14049806
3-Bromo-4-chlorobenzaldehyde
CID 14049809
4-Bromo-2-chlorobenzaldehyde
CID 14109109
3-Bromo-6-chloro-2-fluorobenzaldehyde
CID 59299457
5-Bromo-2-chlorophenacyl bromide
CID 79018226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chlorobenzaldehyde?
The IUPAC name of 5-bromo-2-chlorobenzaldehyde (CID 10608925) is 5-bromo-2-chlorobenzaldehyde.
What is the SMILES notation for 5-bromo-2-chlorobenzaldehyde?
The canonical SMILES for 5-bromo-2-chlorobenzaldehyde is O=Cc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chlorobenzaldehyde?
The InChIKey is DPKKRQAEYWOISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H.
What are the key properties of 5-bromo-2-chlorobenzaldehyde?
5-bromo-2-chlorobenzaldehyde has a molecular weight of 219.47 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chlorobenzaldehyde is sourced from PubChem (CID 10608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).