5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde

C14H9BrCl2O4 — CID 164964246

IUPAC5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(Cl)c1O.O=Cc1cccc(Cl)c1O
InChIInChI=1S/C7H4BrClO2.C7H5ClO2/c8-5-1-4(3-10)7(11)6(9)2-5;8-6-3-1-2-5(4-9)7(6)10/h1-3,11H;1-4,10H
InChIKeyCGKIQZIBXSEWAW-UHFFFAOYSA-N
MW392.03 g/mol
LogP4.48
Rot. Bonds2

About 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde

5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde (PubChem CID 164964246) has the molecular formula C14H9BrCl2O4 and a molecular weight of 392.03 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
PubChem CID164964246
Molecular FormulaC14H9BrCl2O4
Molecular Weight392.03 g/mol
Exact Mass389.91
IUPAC Name5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(Cl)c1O.O=Cc1cccc(Cl)c1O
InChIInChI=1S/C7H4BrClO2.C7H5ClO2/c8-5-1-4(3-10)7(11)6(9)2-5;8-6-3-1-2-5(4-9)7(6)10/h1-3,11H;1-4,10H
InChIKeyCGKIQZIBXSEWAW-UHFFFAOYSA-N
XLogP4.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.03
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde?
The IUPAC name of 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde (CID 164964246) is 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde is O=Cc1cc(Br)cc(Cl)c1O.O=Cc1cccc(Cl)c1O.
What is the InChIKey of 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde?
The InChIKey is CGKIQZIBXSEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO2.C7H5ClO2/c8-5-1-4(3-10)7(11)6(9)2-5;8-6-3-1-2-5(4-9)7(6)10/h1-3,11H;1-4,10H.
What are the key properties of 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde?
5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde has a molecular weight of 392.03 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde is sourced from PubChem (CID 164964246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).