5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

C13H10F2N6O — CID 68848445

IUPAC5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ncc(F)cn1.N#Cc1ncc(F)cn1
InChIInChI=1S/C8H8FN3O.C5H2FN3/c1-5(12-6(2)13)8-10-3-7(9)4-11-8;6-4-2-8-5(1-7)9-3-4/h3-4H,1H2,2H3,(H,12,13);2-3H
InChIKeyRRDIHZWSWVLYSU-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.21
Rot. Bonds2

About 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (PubChem CID 68848445) has the molecular formula C13H10F2N6O and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.

Molecular Properties

Compound Name5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
PubChem CID68848445
Molecular FormulaC13H10F2N6O
Molecular Weight304.26 g/mol
Exact Mass304.09
IUPAC Name5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ncc(F)cn1.N#Cc1ncc(F)cn1
InChIInChI=1S/C8H8FN3O.C5H2FN3/c1-5(12-6(2)13)8-10-3-7(9)4-11-8;6-4-2-8-5(1-7)9-3-4/h3-4H,1H2,2H3,(H,12,13);2-3H
InChIKeyRRDIHZWSWVLYSU-UHFFFAOYSA-N
XLogP1.21
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The IUPAC name of 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (CID 68848445) is 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.
What is the SMILES notation for 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The canonical SMILES for 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is C=C(NC(C)=O)c1ncc(F)cn1.N#Cc1ncc(F)cn1.
What is the InChIKey of 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The InChIKey is RRDIHZWSWVLYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O.C5H2FN3/c1-5(12-6(2)13)8-10-3-7(9)4-11-8;6-4-2-8-5(1-7)9-3-4/h3-4H,1H2,2H3,(H,12,13);2-3H.
What are the key properties of 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide has a molecular weight of 304.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine-2-carbonitrile;N-[1-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is sourced from PubChem (CID 68848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).