methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate

C13H12FN3O2 — CID 71051747

IUPACmethyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(F)cc2)cnc1N
InChIInChI=1S/C13H12FN3O2/c1-19-12(18)6-10-13(15)16-7-11(17-10)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyDDOTWTSGVQDZGW-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate

methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate (PubChem CID 71051747) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
PubChem CID71051747
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namemethyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccc(F)cc2)cnc1N
InChIInChI=1S/C13H12FN3O2/c1-19-12(18)6-10-13(15)16-7-11(17-10)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyDDOTWTSGVQDZGW-UHFFFAOYSA-N
XLogP1.58
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate (CID 71051747) is methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate is COC(=O)Cc1nc(-c2ccc(F)cc2)cnc1N.
What is the InChIKey of methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate?
The InChIKey is DDOTWTSGVQDZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-19-12(18)6-10-13(15)16-7-11(17-10)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H2,15,16).
What are the key properties of methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate?
methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate has a molecular weight of 261.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate is sourced from PubChem (CID 71051747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).