6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine

C12H10F9N3 — CID 102084628

IUPAC6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(C)c2c1nc(F)c(F)c2C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F9N3/c1-23-3-4-24(2)9-7(23)5(6(13)8(14)22-9)10(15,11(16,17)18)12(19,20)21/h3-4H2,1-2H3
InChIKeySIZKZUNOOIOJNR-UHFFFAOYSA-N
MW367.22 g/mol
LogP3.54
Rot. Bonds1

About 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine

6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine (PubChem CID 102084628) has the molecular formula C12H10F9N3 and a molecular weight of 367.22 g/mol. Its IUPAC name is 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
PubChem CID102084628
Molecular FormulaC12H10F9N3
Molecular Weight367.22 g/mol
Exact Mass367.07
IUPAC Name6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(C)c2c1nc(F)c(F)c2C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F9N3/c1-23-3-4-24(2)9-7(23)5(6(13)8(14)22-9)10(15,11(16,17)18)12(19,20)21/h3-4H2,1-2H3
InChIKeySIZKZUNOOIOJNR-UHFFFAOYSA-N
XLogP3.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The IUPAC name of 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine (CID 102084628) is 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The canonical SMILES for 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine is CN1CCN(C)c2c1nc(F)c(F)c2C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The InChIKey is SIZKZUNOOIOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F9N3/c1-23-3-4-24(2)9-7(23)5(6(13)8(14)22-9)10(15,11(16,17)18)12(19,20)21/h3-4H2,1-2H3.
What are the key properties of 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine has a molecular weight of 367.22 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 102084628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).