1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol

C9H12FN3O2 — CID 164662178

IUPAC1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1c1cncc(F)n1
InChIInChI=1S/C9H12FN3O2/c10-8-2-11-3-9(12-8)13-4-7(15)1-6(13)5-14/h2-3,6-7,14-15H,1,4-5H2
InChIKeyHEULYWWQLWSNKC-UHFFFAOYSA-N
MW213.21 g/mol
LogP-0.45
Rot. Bonds2

About 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol

1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 164662178) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID164662178
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOCC1CC(O)CN1c1cncc(F)n1
InChIInChI=1S/C9H12FN3O2/c10-8-2-11-3-9(12-8)13-4-7(15)1-6(13)5-14/h2-3,6-7,14-15H,1,4-5H2
InChIKeyHEULYWWQLWSNKC-UHFFFAOYSA-N
XLogP-0.45
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol (CID 164662178) is 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol is OCC1CC(O)CN1c1cncc(F)n1.
What is the InChIKey of 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is HEULYWWQLWSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-8-2-11-3-9(12-8)13-4-7(15)1-6(13)5-14/h2-3,6-7,14-15H,1,4-5H2.
What are the key properties of 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol?
1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 213.21 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164662178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).