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

C9H10BrF2N3 — CID 102084627

IUPAC8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(C)c2c1nc(F)c(F)c2Br
InChIInChI=1S/C9H10BrF2N3/c1-14-3-4-15(2)9-7(14)5(10)6(11)8(12)13-9/h3-4H2,1-2H3
InChIKeyCSNWTYKUTOPBRU-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.01
Rot. Bonds

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

8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine (PubChem CID 102084627) has the molecular formula C9H10BrF2N3 and a molecular weight of 278.10 g/mol. Its IUPAC name is 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
PubChem CID102084627
Molecular FormulaC9H10BrF2N3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC Name8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine
SMILESCN1CCN(C)c2c1nc(F)c(F)c2Br
InChIInChI=1S/C9H10BrF2N3/c1-14-3-4-15(2)9-7(14)5(10)6(11)8(12)13-9/h3-4H2,1-2H3
InChIKeyCSNWTYKUTOPBRU-UHFFFAOYSA-N
XLogP2.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The IUPAC name of 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine (CID 102084627) is 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine.
What is the SMILES notation for 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The canonical SMILES for 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine is CN1CCN(C)c2c1nc(F)c(F)c2Br.
What is the InChIKey of 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
The InChIKey is CSNWTYKUTOPBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3/c1-14-3-4-15(2)9-7(14)5(10)6(11)8(12)13-9/h3-4H2,1-2H3.
What are the key properties of 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine?
8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine has a molecular weight of 278.10 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,7-difluoro-1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazine is sourced from PubChem (CID 102084627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).