3-amino-5-fluoropyridine-2-carbaldehyde

C6H5FN2O — CID 58318647

IUPAC3-amino-5-fluoropyridine-2-carbaldehyde
SMILESNc1cc(F)cnc1C=O
InChIInChI=1S/C6H5FN2O/c7-4-1-5(8)6(3-10)9-2-4/h1-3H,8H2
InChIKeyVRWNWXWPHVFGAT-UHFFFAOYSA-N
MW140.12 g/mol
LogP0.62
Rot. Bonds1

About 3-amino-5-fluoropyridine-2-carbaldehyde

3-amino-5-fluoropyridine-2-carbaldehyde (PubChem CID 58318647) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is 3-amino-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-fluoropyridine-2-carbaldehyde
PubChem CID58318647
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name3-amino-5-fluoropyridine-2-carbaldehyde
SMILESNc1cc(F)cnc1C=O
InChIInChI=1S/C6H5FN2O/c7-4-1-5(8)6(3-10)9-2-4/h1-3H,8H2
InChIKeyVRWNWXWPHVFGAT-UHFFFAOYSA-N
XLogP0.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.62
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 3-amino-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 3-amino-5-fluoropyridine-2-carbaldehyde (CID 58318647) is 3-amino-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 3-amino-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 3-amino-5-fluoropyridine-2-carbaldehyde is Nc1cc(F)cnc1C=O.
What is the InChIKey of 3-amino-5-fluoropyridine-2-carbaldehyde?
The InChIKey is VRWNWXWPHVFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O/c7-4-1-5(8)6(3-10)9-2-4/h1-3H,8H2.
What are the key properties of 3-amino-5-fluoropyridine-2-carbaldehyde?
3-amino-5-fluoropyridine-2-carbaldehyde has a molecular weight of 140.12 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 58318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).