2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate

C8H7ClF3N3O2 — CID 174826034

IUPAC2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate
SMILESNc1nc(C(F)(F)F)c(Cl)nc1CCOC=O
InChIInChI=1S/C8H7ClF3N3O2/c9-6-5(8(10,11)12)15-7(13)4(14-6)1-2-17-3-16/h3H,1-2H2,(H2,13,15)
InChIKeyZEVGFOVTGZEBME-UHFFFAOYSA-N
MW269.61 g/mol
LogP1.45
Rot. Bonds4

About 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate

2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate (PubChem CID 174826034) has the molecular formula C8H7ClF3N3O2 and a molecular weight of 269.61 g/mol. Its IUPAC name is 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate.

Molecular Properties

Compound Name2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate
PubChem CID174826034
Molecular FormulaC8H7ClF3N3O2
Molecular Weight269.61 g/mol
Exact Mass269.02
IUPAC Name2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate
SMILESNc1nc(C(F)(F)F)c(Cl)nc1CCOC=O
InChIInChI=1S/C8H7ClF3N3O2/c9-6-5(8(10,11)12)15-7(13)4(14-6)1-2-17-3-16/h3H,1-2H2,(H2,13,15)
InChIKeyZEVGFOVTGZEBME-UHFFFAOYSA-N
XLogP1.45
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The IUPAC name of 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate (CID 174826034) is 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate.
What is the SMILES notation for 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The canonical SMILES for 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate is Nc1nc(C(F)(F)F)c(Cl)nc1CCOC=O.
What is the InChIKey of 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
The InChIKey is ZEVGFOVTGZEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O2/c9-6-5(8(10,11)12)15-7(13)4(14-6)1-2-17-3-16/h3H,1-2H2,(H2,13,15).
What are the key properties of 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate?
2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate has a molecular weight of 269.61 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-chloro-5-(trifluoromethyl)pyrazin-2-yl]ethyl formate is sourced from PubChem (CID 174826034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).