4-amino-2-chlorobenzaldehyde

C7H6ClNO — CID 3554390

IUPAC4-amino-2-chlorobenzaldehyde
SMILESNc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C7H6ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H,9H2
InChIKeyPFZVIGWKAMJZJN-UHFFFAOYSA-N
MW155.58 g/mol
LogP1.73
Rot. Bonds1

About 4-amino-2-chlorobenzaldehyde

4-amino-2-chlorobenzaldehyde (PubChem CID 3554390) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 4-amino-2-chlorobenzaldehyde.

Molecular Properties

Compound Name4-amino-2-chlorobenzaldehyde
PubChem CID3554390
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name4-amino-2-chlorobenzaldehyde
SMILESNc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C7H6ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H,9H2
InChIKeyPFZVIGWKAMJZJN-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 4-amino-2-chlorobenzaldehyde?
The IUPAC name of 4-amino-2-chlorobenzaldehyde (CID 3554390) is 4-amino-2-chlorobenzaldehyde.
What is the SMILES notation for 4-amino-2-chlorobenzaldehyde?
The canonical SMILES for 4-amino-2-chlorobenzaldehyde is Nc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 4-amino-2-chlorobenzaldehyde?
The InChIKey is PFZVIGWKAMJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H,9H2.
What are the key properties of 4-amino-2-chlorobenzaldehyde?
4-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 4-amino-2-chlorobenzaldehyde is sourced from PubChem (CID 3554390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).