1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol

C9H11FN2O2 — CID 106670856

IUPAC1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
SMILESOC1CN(c2cccc(F)n2)CC1O
InChIInChI=1S/C9H11FN2O2/c10-8-2-1-3-9(11-8)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2
InChIKeyGBVLPQCJYGTHJA-UHFFFAOYSA-N
MW198.20 g/mol
LogP-0.24
Rot. Bonds1

About 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol

1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol (PubChem CID 106670856) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
PubChem CID106670856
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
SMILESOC1CN(c2cccc(F)n2)CC1O
InChIInChI=1S/C9H11FN2O2/c10-8-2-1-3-9(11-8)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2
InChIKeyGBVLPQCJYGTHJA-UHFFFAOYSA-N
XLogP-0.24
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]methanol
CID 130830616
2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluoropyridine
CID 103536645
[4-(6-fluoro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933936
1-[6-(methylamino)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106674459
2-(6-fluoro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 61227818
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
4-(6-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 66061645
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167
4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 62967987
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol (CID 106670856) is 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol is OC1CN(c2cccc(F)n2)CC1O.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol?
The InChIKey is GBVLPQCJYGTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-2-1-3-9(11-8)12-4-6(13)7(14)5-12/h1-3,6-7,13-14H,4-5H2.
What are the key properties of 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol?
1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol has a molecular weight of 198.20 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106670856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).