[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

C13H8ClF3N4O3 — CID 2351075

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4O3/c14-8-3-7(13(15,16)17)4-20-11(8)21-10(22)6-24-12(23)9-5-18-1-2-19-9/h1-5H,6H2,(H,20,21,22)
InChIKeyKYVUPWVVCFPYPR-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.34
Rot. Bonds4

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2351075) has the molecular formula C13H8ClF3N4O3 and a molecular weight of 360.68 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2351075
Molecular FormulaC13H8ClF3N4O3
Molecular Weight360.68 g/mol
Exact Mass360.02
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4O3/c14-8-3-7(13(15,16)17)4-20-11(8)21-10(22)6-24-12(23)9-5-18-1-2-19-9/h1-5H,6H2,(H,20,21,22)
InChIKeyKYVUPWVVCFPYPR-UHFFFAOYSA-N
XLogP2.34
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate 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 [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate (CID 2351075) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is KYVUPWVVCFPYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4O3/c14-8-3-7(13(15,16)17)4-20-11(8)21-10(22)6-24-12(23)9-5-18-1-2-19-9/h1-5H,6H2,(H,20,21,22).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 360.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2351075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).