1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol

C9H12FN3O — CID 164646870

IUPAC1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2cncc(F)n2)CC1O
InChIInChI=1S/C9H12FN3O/c1-6-4-13(5-7(6)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyPCVGAHGUEJBLGM-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.43
Rot. Bonds1

About 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol

1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol (PubChem CID 164646870) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol
PubChem CID164646870
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2cncc(F)n2)CC1O
InChIInChI=1S/C9H12FN3O/c1-6-4-13(5-7(6)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3
InChIKeyPCVGAHGUEJBLGM-UHFFFAOYSA-N
XLogP0.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol (CID 164646870) is 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol is CC1CN(c2cncc(F)n2)CC1O.
What is the InChIKey of 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is PCVGAHGUEJBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-6-4-13(5-7(6)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol?
1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 164646870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).