2-amino-3-fluorobenzaldehyde

C7H6FNO — CID 22399503

IUPAC2-amino-3-fluorobenzaldehyde
SMILESNc1c(F)cccc1C=O
InChIInChI=1S/C7H6FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKeyPZBQRNQMWORUND-UHFFFAOYSA-N
MW139.13 g/mol
LogP1.22
Rot. Bonds1

About 2-amino-3-fluorobenzaldehyde

2-amino-3-fluorobenzaldehyde (PubChem CID 22399503) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 2-amino-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-amino-3-fluorobenzaldehyde
PubChem CID22399503
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name2-amino-3-fluorobenzaldehyde
SMILESNc1c(F)cccc1C=O
InChIInChI=1S/C7H6FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKeyPZBQRNQMWORUND-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.22
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'}

Analyze 2-amino-3-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluorobenzaldehyde?
The IUPAC name of 2-amino-3-fluorobenzaldehyde (CID 22399503) is 2-amino-3-fluorobenzaldehyde.
What is the SMILES notation for 2-amino-3-fluorobenzaldehyde?
The canonical SMILES for 2-amino-3-fluorobenzaldehyde is Nc1c(F)cccc1C=O.
What is the InChIKey of 2-amino-3-fluorobenzaldehyde?
The InChIKey is PZBQRNQMWORUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2.
What are the key properties of 2-amino-3-fluorobenzaldehyde?
2-amino-3-fluorobenzaldehyde has a molecular weight of 139.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluorobenzaldehyde is sourced from PubChem (CID 22399503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).