6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine

C10H6BrF2N3 — CID 106943753

IUPAC6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine
SMILESNc1cncc(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C10H6BrF2N3/c11-5-1-2-6(12)9(10(5)13)7-3-15-4-8(14)16-7/h1-4H,(H2,14,16)
InChIKeyLGYNOHPLEZCHQH-UHFFFAOYSA-N
MW286.08 g/mol
LogP2.77
Rot. Bonds1

About 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine

6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine (PubChem CID 106943753) has the molecular formula C10H6BrF2N3 and a molecular weight of 286.08 g/mol. Its IUPAC name is 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine
PubChem CID106943753
Molecular FormulaC10H6BrF2N3
Molecular Weight286.08 g/mol
Exact Mass284.97
IUPAC Name6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine
SMILESNc1cncc(-c2c(F)ccc(Br)c2F)n1
InChIInChI=1S/C10H6BrF2N3/c11-5-1-2-6(12)9(10(5)13)7-3-15-4-8(14)16-7/h1-4H,(H2,14,16)
InChIKeyLGYNOHPLEZCHQH-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine?
The IUPAC name of 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine (CID 106943753) is 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine is Nc1cncc(-c2c(F)ccc(Br)c2F)n1.
What is the InChIKey of 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine?
The InChIKey is LGYNOHPLEZCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3/c11-5-1-2-6(12)9(10(5)13)7-3-15-4-8(14)16-7/h1-4H,(H2,14,16).
What are the key properties of 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine?
6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine has a molecular weight of 286.08 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 106943753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).