3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile

C12H6FN5 — CID 62683175

IUPAC3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
SMILESN#Cc1cc(Nc2nccnc2C#N)ccc1F
InChIInChI=1S/C12H6FN5/c13-10-2-1-9(5-8(10)6-14)18-12-11(7-15)16-3-4-17-12/h1-5H,(H,17,18)
InChIKeyVRFRKSBGXKFCOH-UHFFFAOYSA-N
MW239.21 g/mol
LogP2.10
Rot. Bonds2

About 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile

3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile (PubChem CID 62683175) has the molecular formula C12H6FN5 and a molecular weight of 239.21 g/mol. Its IUPAC name is 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
PubChem CID62683175
Molecular FormulaC12H6FN5
Molecular Weight239.21 g/mol
Exact Mass239.06
IUPAC Name3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
SMILESN#Cc1cc(Nc2nccnc2C#N)ccc1F
InChIInChI=1S/C12H6FN5/c13-10-2-1-9(5-8(10)6-14)18-12-11(7-15)16-3-4-17-12/h1-5H,(H,17,18)
InChIKeyVRFRKSBGXKFCOH-UHFFFAOYSA-N
XLogP2.10
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile (CID 62683175) is 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile is N#Cc1cc(Nc2nccnc2C#N)ccc1F.
What is the InChIKey of 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile?
The InChIKey is VRFRKSBGXKFCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN5/c13-10-2-1-9(5-8(10)6-14)18-12-11(7-15)16-3-4-17-12/h1-5H,(H,17,18).
What are the key properties of 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile?
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile has a molecular weight of 239.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62683175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).