6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile

C10H10F2N4 — CID 102084623

IUPAC6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile
SMILESCN1CCN(C)c2c1nc(F)c(F)c2C#N
InChIInChI=1S/C10H10F2N4/c1-15-3-4-16(2)10-8(15)6(5-13)7(11)9(12)14-10/h3-4H2,1-2H3
InChIKeyJYCPEJJRVJEUHF-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.12
Rot. Bonds

About 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile

6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile (PubChem CID 102084623) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile
PubChem CID102084623
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile
SMILESCN1CCN(C)c2c1nc(F)c(F)c2C#N
InChIInChI=1S/C10H10F2N4/c1-15-3-4-16(2)10-8(15)6(5-13)7(11)9(12)14-10/h3-4H2,1-2H3
InChIKeyJYCPEJJRVJEUHF-UHFFFAOYSA-N
XLogP1.12
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile?
The IUPAC name of 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile (CID 102084623) is 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile.
What is the SMILES notation for 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile?
The canonical SMILES for 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile is CN1CCN(C)c2c1nc(F)c(F)c2C#N.
What is the InChIKey of 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile?
The InChIKey is JYCPEJJRVJEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-15-3-4-16(2)10-8(15)6(5-13)7(11)9(12)14-10/h3-4H2,1-2H3.
What are the key properties of 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile?
6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile has a molecular weight of 224.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine-8-carbonitrile is sourced from PubChem (CID 102084623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).