6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine

C10H5ClF3N3 — CID 62810763

IUPAC6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
SMILESFc1cc(F)c(Nc2cncc(Cl)n2)cc1F
InChIInChI=1S/C10H5ClF3N3/c11-9-3-15-4-10(17-9)16-8-2-6(13)5(12)1-7(8)14/h1-4H,(H,16,17)
InChIKeyMVKNXJBNUATZPQ-UHFFFAOYSA-N
MW259.62 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine

6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine (PubChem CID 62810763) has the molecular formula C10H5ClF3N3 and a molecular weight of 259.62 g/mol. Its IUPAC name is 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
PubChem CID62810763
Molecular FormulaC10H5ClF3N3
Molecular Weight259.62 g/mol
Exact Mass259.01
IUPAC Name6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
SMILESFc1cc(F)c(Nc2cncc(Cl)n2)cc1F
InChIInChI=1S/C10H5ClF3N3/c11-9-3-15-4-10(17-9)16-8-2-6(13)5(12)1-7(8)14/h1-4H,(H,16,17)
InChIKeyMVKNXJBNUATZPQ-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.62
LogP ≤ 53.29
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-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine (CID 62810763) is 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine is Fc1cc(F)c(Nc2cncc(Cl)n2)cc1F.
What is the InChIKey of 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine?
The InChIKey is MVKNXJBNUATZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3/c11-9-3-15-4-10(17-9)16-8-2-6(13)5(12)1-7(8)14/h1-4H,(H,16,17).
What are the key properties of 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine?
6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine has a molecular weight of 259.62 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine is sourced from PubChem (CID 62810763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).