1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile

C9H5F2N3O — CID 23048993

IUPAC1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile
SMILESN#CCn1cc(C(F)F)cc(C#N)c1=O
InChIInChI=1S/C9H5F2N3O/c10-8(11)7-3-6(4-13)9(15)14(5-7)2-1-12/h3,5,8H,2H2
InChIKeyXJDRHEUUDKYHNG-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.18
Rot. Bonds2

About 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile

1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 23048993) has the molecular formula C9H5F2N3O and a molecular weight of 209.16 g/mol. Its IUPAC name is 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile
PubChem CID23048993
Molecular FormulaC9H5F2N3O
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile
SMILESN#CCn1cc(C(F)F)cc(C#N)c1=O
InChIInChI=1S/C9H5F2N3O/c10-8(11)7-3-6(4-13)9(15)14(5-7)2-1-12/h3,5,8H,2H2
InChIKeyXJDRHEUUDKYHNG-UHFFFAOYSA-N
XLogP1.18
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile (CID 23048993) is 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile is N#CCn1cc(C(F)F)cc(C#N)c1=O.
What is the InChIKey of 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is XJDRHEUUDKYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O/c10-8(11)7-3-6(4-13)9(15)14(5-7)2-1-12/h3,5,8H,2H2.
What are the key properties of 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile?
1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 209.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-5-(difluoromethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 23048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).