5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C10H11FN4O — CID 128979489

IUPAC5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2C[C@@H](F)C[C@H]2CO)cn1
InChIInChI=1S/C10H11FN4O/c11-7-1-9(6-16)15(5-7)10-4-13-8(2-12)3-14-10/h3-4,7,9,16H,1,5-6H2/t7-,9-/m0/s1
InChIKeyJVMSIPFDJSRVDO-CBAPKCEASA-N
MW222.22 g/mol
LogP0.26
Rot. Bonds2

About 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 128979489) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID128979489
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2C[C@@H](F)C[C@H]2CO)cn1
InChIInChI=1S/C10H11FN4O/c11-7-1-9(6-16)15(5-7)10-4-13-8(2-12)3-14-10/h3-4,7,9,16H,1,5-6H2/t7-,9-/m0/s1
InChIKeyJVMSIPFDJSRVDO-CBAPKCEASA-N
XLogP0.26
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 128979489) is 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2C[C@@H](F)C[C@H]2CO)cn1.
What is the InChIKey of 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is JVMSIPFDJSRVDO-CBAPKCEASA-N. The full InChI is InChI=1S/C10H11FN4O/c11-7-1-9(6-16)15(5-7)10-4-13-8(2-12)3-14-10/h3-4,7,9,16H,1,5-6H2/t7-,9-/m0/s1.
What are the key properties of 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 222.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 128979489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).