6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde

C10H11FN2O — CID 165460442

IUPAC6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCC(F)C2)nc1
InChIInChI=1S/C10H11FN2O/c11-9-3-4-13(6-9)10-2-1-8(7-14)5-12-10/h1-2,5,7,9H,3-4,6H2
InChIKeyQXWQOPOWZWINPM-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.44
Rot. Bonds2

About 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde

6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde (PubChem CID 165460442) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
PubChem CID165460442
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCC(F)C2)nc1
InChIInChI=1S/C10H11FN2O/c11-9-3-4-13(6-9)10-2-1-8(7-14)5-12-10/h1-2,5,7,9H,3-4,6H2
InChIKeyQXWQOPOWZWINPM-UHFFFAOYSA-N
XLogP1.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde (CID 165460442) is 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde is O=Cc1ccc(N2CCC(F)C2)nc1.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is QXWQOPOWZWINPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-3-4-13(6-9)10-2-1-8(7-14)5-12-10/h1-2,5,7,9H,3-4,6H2.
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde?
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 194.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165460442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).