6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde

C12H9FN2O — CID 87405121

IUPAC6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)cc1-c1ccccc1F
InChIInChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)10-5-8(7-16)6-15-12(10)14/h1-7H,(H2,14,15)
InChIKeyUMKXGZIUYDWEQH-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.28
Rot. Bonds2

About 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde

6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde (PubChem CID 87405121) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde
PubChem CID87405121
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)cc1-c1ccccc1F
InChIInChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)10-5-8(7-16)6-15-12(10)14/h1-7H,(H2,14,15)
InChIKeyUMKXGZIUYDWEQH-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde (CID 87405121) is 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde is Nc1ncc(C=O)cc1-c1ccccc1F.
What is the InChIKey of 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde?
The InChIKey is UMKXGZIUYDWEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)10-5-8(7-16)6-15-12(10)14/h1-7H,(H2,14,15).
What are the key properties of 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde?
6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde has a molecular weight of 216.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-fluorophenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 87405121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).