2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde

C10H11FN2O — CID 46318135

IUPAC2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCCC2)nc1F
InChIInChI=1S/C10H11FN2O/c11-10-8(7-14)3-4-9(12-10)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyPGLUHADCVQGJMP-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.63
Rot. Bonds2

About 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde

2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde (PubChem CID 46318135) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
PubChem CID46318135
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCCC2)nc1F
InChIInChI=1S/C10H11FN2O/c11-10-8(7-14)3-4-9(12-10)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyPGLUHADCVQGJMP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde (CID 46318135) is 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde is O=Cc1ccc(N2CCCC2)nc1F.
What is the InChIKey of 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is PGLUHADCVQGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-10-8(7-14)3-4-9(12-10)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde?
2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 194.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-pyrrolidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 46318135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).