3-fluoro-2H-pyridine-3-carbaldehyde

C6H6FNO — CID 142660736

IUPAC3-fluoro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(F)C=CC=NC1
InChIInChI=1S/C6H6FNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2
InChIKeyVUZAYYWUMSKDTE-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.53
Rot. Bonds1

About 3-fluoro-2H-pyridine-3-carbaldehyde

3-fluoro-2H-pyridine-3-carbaldehyde (PubChem CID 142660736) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 3-fluoro-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-2H-pyridine-3-carbaldehyde
PubChem CID142660736
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name3-fluoro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(F)C=CC=NC1
InChIInChI=1S/C6H6FNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2
InChIKeyVUZAYYWUMSKDTE-UHFFFAOYSA-N
XLogP0.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-2H-pyridine-3-carbaldehyde?
The IUPAC name of 3-fluoro-2H-pyridine-3-carbaldehyde (CID 142660736) is 3-fluoro-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 3-fluoro-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 3-fluoro-2H-pyridine-3-carbaldehyde is O=CC1(F)C=CC=NC1.
What is the InChIKey of 3-fluoro-2H-pyridine-3-carbaldehyde?
The InChIKey is VUZAYYWUMSKDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2.
What are the key properties of 3-fluoro-2H-pyridine-3-carbaldehyde?
3-fluoro-2H-pyridine-3-carbaldehyde has a molecular weight of 127.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 142660736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).