5-amino-2-chlorobenzaldehyde

C7H6ClNO — CID 23045679

IUPAC5-amino-2-chlorobenzaldehyde
SMILESNc1ccc(Cl)c(C=O)c1
InChIInChI=1S/C7H6ClNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2
InChIKeyVFMNMBPTALFANA-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.73
Rot. Bonds1

About 5-amino-2-chlorobenzaldehyde

5-amino-2-chlorobenzaldehyde (PubChem CID 23045679) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 5-amino-2-chlorobenzaldehyde.

Molecular Properties

Compound Name5-amino-2-chlorobenzaldehyde
PubChem CID23045679
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name5-amino-2-chlorobenzaldehyde
SMILESNc1ccc(Cl)c(C=O)c1
InChIInChI=1S/C7H6ClNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2
InChIKeyVFMNMBPTALFANA-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-amino-2-chlorobenzaldehyde?
The IUPAC name of 5-amino-2-chlorobenzaldehyde (CID 23045679) is 5-amino-2-chlorobenzaldehyde.
What is the SMILES notation for 5-amino-2-chlorobenzaldehyde?
The canonical SMILES for 5-amino-2-chlorobenzaldehyde is Nc1ccc(Cl)c(C=O)c1.
What is the InChIKey of 5-amino-2-chlorobenzaldehyde?
The InChIKey is VFMNMBPTALFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H,9H2.
What are the key properties of 5-amino-2-chlorobenzaldehyde?
5-amino-2-chlorobenzaldehyde has a molecular weight of 155.58 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chlorobenzaldehyde is sourced from PubChem (CID 23045679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).