2-amino-3,5-dibromobenzaldehyde;chloroform

C8H6Br2Cl3NO — CID 175167427

IUPAC2-amino-3,5-dibromobenzaldehyde;chloroform
SMILESClC(Cl)Cl.Nc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C7H5Br2NO.CHCl3/c8-5-1-4(3-11)7(10)6(9)2-5;2-1(3)4/h1-3H,10H2;1H
InChIKeyJMHORCJXUKLWDZ-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.59
Rot. Bonds1

About 2-amino-3,5-dibromobenzaldehyde;chloroform

2-amino-3,5-dibromobenzaldehyde;chloroform (PubChem CID 175167427) has the molecular formula C8H6Br2Cl3NO and a molecular weight of 398.31 g/mol. Its IUPAC name is 2-amino-3,5-dibromobenzaldehyde;chloroform.

Molecular Properties

Compound Name2-amino-3,5-dibromobenzaldehyde;chloroform
PubChem CID175167427
Molecular FormulaC8H6Br2Cl3NO
Molecular Weight398.31 g/mol
Exact Mass394.79
IUPAC Name2-amino-3,5-dibromobenzaldehyde;chloroform
SMILESClC(Cl)Cl.Nc1c(Br)cc(Br)cc1C=O
InChIInChI=1S/C7H5Br2NO.CHCl3/c8-5-1-4(3-11)7(10)6(9)2-5;2-1(3)4/h1-3H,10H2;1H
InChIKeyJMHORCJXUKLWDZ-UHFFFAOYSA-N
XLogP4.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dibromobenzaldehyde;chloroform?
The IUPAC name of 2-amino-3,5-dibromobenzaldehyde;chloroform (CID 175167427) is 2-amino-3,5-dibromobenzaldehyde;chloroform.
What is the SMILES notation for 2-amino-3,5-dibromobenzaldehyde;chloroform?
The canonical SMILES for 2-amino-3,5-dibromobenzaldehyde;chloroform is ClC(Cl)Cl.Nc1c(Br)cc(Br)cc1C=O.
What is the InChIKey of 2-amino-3,5-dibromobenzaldehyde;chloroform?
The InChIKey is JMHORCJXUKLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO.CHCl3/c8-5-1-4(3-11)7(10)6(9)2-5;2-1(3)4/h1-3H,10H2;1H.
What are the key properties of 2-amino-3,5-dibromobenzaldehyde;chloroform?
2-amino-3,5-dibromobenzaldehyde;chloroform has a molecular weight of 398.31 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromobenzaldehyde;chloroform is sourced from PubChem (CID 175167427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).