6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde

C14H11BrCl2N2O2 — CID 158763705

IUPAC6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde
SMILESNc1ccc(Br)c(Cl)c1C=O.Nc1cccc(Cl)c1C=O
InChIInChI=1S/C7H5BrClNO.C7H6ClNO/c8-5-1-2-6(10)4(3-11)7(5)9;8-6-2-1-3-7(9)5(6)4-10/h1-3H,10H2;1-4H,9H2
InChIKeyIOZMCVZLFVORSW-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.23
Rot. Bonds2

About 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde

6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde (PubChem CID 158763705) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde.

Molecular Properties

Compound Name6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde
PubChem CID158763705
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC Name6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde
SMILESNc1ccc(Br)c(Cl)c1C=O.Nc1cccc(Cl)c1C=O
InChIInChI=1S/C7H5BrClNO.C7H6ClNO/c8-5-1-2-6(10)4(3-11)7(5)9;8-6-2-1-3-7(9)5(6)4-10/h1-3H,10H2;1-4H,9H2
InChIKeyIOZMCVZLFVORSW-UHFFFAOYSA-N
XLogP4.23
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde?
The IUPAC name of 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde (CID 158763705) is 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde.
What is the SMILES notation for 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde?
The canonical SMILES for 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde is Nc1ccc(Br)c(Cl)c1C=O.Nc1cccc(Cl)c1C=O.
What is the InChIKey of 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde?
The InChIKey is IOZMCVZLFVORSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO.C7H6ClNO/c8-5-1-2-6(10)4(3-11)7(5)9;8-6-2-1-3-7(9)5(6)4-10/h1-3H,10H2;1-4H,9H2.
What are the key properties of 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde?
6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde has a molecular weight of 390.06 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-2-chlorobenzaldehyde;2-amino-6-chlorobenzaldehyde is sourced from PubChem (CID 158763705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).