ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate

C14H11ClF3N3O2 — CID 155388726

IUPACethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2C(F)(F)F)c(C)nc1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-3-23-13(22)10-12(15)20-7(2)9(21-10)8-5-4-6-19-11(8)14(16,17)18/h4-6H,3H2,1-2H3
InChIKeyRPODFFPFRWAEQL-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.70
Rot. Bonds3

About ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate

ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate (PubChem CID 155388726) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
PubChem CID155388726
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Nameethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2C(F)(F)F)c(C)nc1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-3-23-13(22)10-12(15)20-7(2)9(21-10)8-5-4-6-19-11(8)14(16,17)18/h4-6H,3H2,1-2H3
InChIKeyRPODFFPFRWAEQL-UHFFFAOYSA-N
XLogP3.70
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
CID 166989304
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 2-(2-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
ethyl 3-amino-5,6-bis(trifluoromethyl)pyrazine-2-carboxylate
CID 86657667
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 4,5-dinaphthalen-1-yl-3,6-bis(trifluoromethyl)pyridine-2-carboxylate
CID 135030027
CID 163489134
CID 163489134
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate (CID 155388726) is ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate is CCOC(=O)c1nc(-c2cccnc2C(F)(F)F)c(C)nc1Cl.
What is the InChIKey of ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate?
The InChIKey is RPODFFPFRWAEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-3-23-13(22)10-12(15)20-7(2)9(21-10)8-5-4-6-19-11(8)14(16,17)18/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate?
ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate has a molecular weight of 345.71 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate is sourced from PubChem (CID 155388726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).