(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol

C9H12FN3O2 — CID 164646881

IUPAC(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(c2cncc(F)n2)C[C@H]1O
InChIInChI=1S/C9H12FN3O2/c1-15-7-5-13(4-6(7)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyGFISZPRXWOXGAL-RNFRBKRXSA-N
MW213.21 g/mol
LogP-0.19
Rot. Bonds2

About (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol

(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol (PubChem CID 164646881) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol
PubChem CID164646881
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CN(c2cncc(F)n2)C[C@H]1O
InChIInChI=1S/C9H12FN3O2/c1-15-7-5-13(4-6(7)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyGFISZPRXWOXGAL-RNFRBKRXSA-N
XLogP-0.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(1-methyl-1H-imidazol-2-yl)morpholin-2-yl)methanol
CID 81219518
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102935911
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
CID 113251773
4-[Methyl-[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-2-ol
CID 114280897
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-methylmorpholin-2-yl]methanol
CID 114286871
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779982
(3R,4R)-1-[6-(dimethylamino)pyrazin-2-yl]-4-fluoropyrrolidin-3-ol
CID 132407662
1-(6-Fluoropyrazin-2-yl)-4-methylpyrrolidin-3-ol
CID 164646870
1-(3-Fluoropyrazin-2-yl)-3-(methoxymethyl)azetidin-3-ol
CID 164648156
1-(3-Fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 164662176
1-(6-Fluoropyrazin-2-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 164662178
1-(Pyrazin-2-yl)pyrrolidin-3-ol
CID 53848722

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol (CID 164646881) is (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol is CO[C@@H]1CN(c2cncc(F)n2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol?
The InChIKey is GFISZPRXWOXGAL-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-15-7-5-13(4-6(7)14)9-3-11-2-8(10)12-9/h2-3,6-7,14H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol?
(3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol has a molecular weight of 213.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-fluoropyrazin-2-yl)-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 164646881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).