3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine

C10H11FN2O — CID 71454298

IUPAC3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine
SMILESFc1ncccc1OC[C@@H]1C=CCN1
InChIInChI=1S/C10H11FN2O/c11-10-9(4-2-6-13-10)14-7-8-3-1-5-12-8/h1-4,6,8,12H,5,7H2/t8-/m0/s1
InChIKeyGHHQHFNDKOQCRS-QMMMGPOBSA-N
MW194.21 g/mol
LogP1.13
Rot. Bonds3

About 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine

3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine (PubChem CID 71454298) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine.

Molecular Properties

Compound Name3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine
PubChem CID71454298
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine
SMILESFc1ncccc1OC[C@@H]1C=CCN1
InChIInChI=1S/C10H11FN2O/c11-10-9(4-2-6-13-10)14-7-8-3-1-5-12-8/h1-4,6,8,12H,5,7H2/t8-/m0/s1
InChIKeyGHHQHFNDKOQCRS-QMMMGPOBSA-N
XLogP1.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine?
The IUPAC name of 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine (CID 71454298) is 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine.
What is the SMILES notation for 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine?
The canonical SMILES for 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine is Fc1ncccc1OC[C@@H]1C=CCN1.
What is the InChIKey of 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine?
The InChIKey is GHHQHFNDKOQCRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-10-9(4-2-6-13-10)14-7-8-3-1-5-12-8/h1-4,6,8,12H,5,7H2/t8-/m0/s1.
What are the key properties of 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine?
3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine has a molecular weight of 194.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methoxy]-2-fluoropyridine is sourced from PubChem (CID 71454298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).