methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate

C12H9F3N4O2 — CID 118873340

IUPACmethyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ncccc2C(F)(F)F)cnc1N
InChIInChI=1S/C12H9F3N4O2/c1-21-11(20)9-10(16)18-5-7(19-9)8-6(12(13,14)15)3-2-4-17-8/h2-5H,1H3,(H2,16,18)
InChIKeyQEUOZSCLEQREED-UHFFFAOYSA-N
MW298.22 g/mol
LogP1.93
Rot. Bonds2

About methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate

methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate (PubChem CID 118873340) has the molecular formula C12H9F3N4O2 and a molecular weight of 298.22 g/mol. Its IUPAC name is methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate
PubChem CID118873340
Molecular FormulaC12H9F3N4O2
Molecular Weight298.22 g/mol
Exact Mass298.07
IUPAC Namemethyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ncccc2C(F)(F)F)cnc1N
InChIInChI=1S/C12H9F3N4O2/c1-21-11(20)9-10(16)18-5-7(19-9)8-6(12(13,14)15)3-2-4-17-8/h2-5H,1H3,(H2,16,18)
InChIKeyQEUOZSCLEQREED-UHFFFAOYSA-N
XLogP1.93
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate (CID 118873340) is methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate is COC(=O)c1nc(-c2ncccc2C(F)(F)F)cnc1N.
What is the InChIKey of methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate?
The InChIKey is QEUOZSCLEQREED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2/c1-21-11(20)9-10(16)18-5-7(19-9)8-6(12(13,14)15)3-2-4-17-8/h2-5H,1H3,(H2,16,18).
What are the key properties of methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate?
methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate has a molecular weight of 298.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxylate is sourced from PubChem (CID 118873340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).