6-amino-3-chloro-2-fluorobenzaldehyde

C7H5ClFNO — CID 126525308

IUPAC6-amino-3-chloro-2-fluorobenzaldehyde
SMILESNc1ccc(Cl)c(F)c1C=O
InChIInChI=1S/C7H5ClFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H,10H2
InChIKeyBUYKUSRHEDJMJM-UHFFFAOYSA-N
MW173.57 g/mol
LogP1.87
Rot. Bonds1

About 6-amino-3-chloro-2-fluorobenzaldehyde

6-amino-3-chloro-2-fluorobenzaldehyde (PubChem CID 126525308) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 6-amino-3-chloro-2-fluorobenzaldehyde.

Molecular Properties

Compound Name6-amino-3-chloro-2-fluorobenzaldehyde
PubChem CID126525308
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name6-amino-3-chloro-2-fluorobenzaldehyde
SMILESNc1ccc(Cl)c(F)c1C=O
InChIInChI=1S/C7H5ClFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H,10H2
InChIKeyBUYKUSRHEDJMJM-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 51.87
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 6-amino-3-chloro-2-fluorobenzaldehyde?
The IUPAC name of 6-amino-3-chloro-2-fluorobenzaldehyde (CID 126525308) is 6-amino-3-chloro-2-fluorobenzaldehyde.
What is the SMILES notation for 6-amino-3-chloro-2-fluorobenzaldehyde?
The canonical SMILES for 6-amino-3-chloro-2-fluorobenzaldehyde is Nc1ccc(Cl)c(F)c1C=O.
What is the InChIKey of 6-amino-3-chloro-2-fluorobenzaldehyde?
The InChIKey is BUYKUSRHEDJMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H,10H2.
What are the key properties of 6-amino-3-chloro-2-fluorobenzaldehyde?
6-amino-3-chloro-2-fluorobenzaldehyde has a molecular weight of 173.57 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-fluorobenzaldehyde is sourced from PubChem (CID 126525308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).