ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate

C10H6ClF3N2O2S — CID 177236659

IUPACethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cc2nc(Cl)c(C(F)(F)F)nc2s1
InChIInChI=1S/C10H6ClF3N2O2S/c1-2-18-9(17)5-3-4-8(19-5)16-6(7(11)15-4)10(12,13)14/h3H,2H2,1H3
InChIKeyDEYXSRPEQYVYRV-UHFFFAOYSA-N
MW310.68 g/mol
LogP3.54
Rot. Bonds2

About ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate

ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 177236659) has the molecular formula C10H6ClF3N2O2S and a molecular weight of 310.68 g/mol. Its IUPAC name is ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate
PubChem CID177236659
Molecular FormulaC10H6ClF3N2O2S
Molecular Weight310.68 g/mol
Exact Mass309.98
IUPAC Nameethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cc2nc(Cl)c(C(F)(F)F)nc2s1
InChIInChI=1S/C10H6ClF3N2O2S/c1-2-18-9(17)5-3-4-8(19-5)16-6(7(11)15-4)10(12,13)14/h3H,2H2,1H3
InChIKeyDEYXSRPEQYVYRV-UHFFFAOYSA-N
XLogP3.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazin-6-yl]methanol
CID 177236614
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
ethyl 4-(3,4-dichlorophenyl)-5-(trifluoromethyl)thiophene-2-carboxylate
CID 121234846
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 4-chloro-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate
CID 14387086
ethyl 7-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 51063894
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 778240
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634
ethyl 2-chloro-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 122508431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate (CID 177236659) is ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate is CCOC(=O)c1cc2nc(Cl)c(C(F)(F)F)nc2s1.
What is the InChIKey of ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is DEYXSRPEQYVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2S/c1-2-18-9(17)5-3-4-8(19-5)16-6(7(11)15-4)10(12,13)14/h3H,2H2,1H3.
What are the key properties of ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate?
ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 310.68 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 177236659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).