(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate

C12H10FN3O2 — CID 16594702

IUPAC(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-2-8(6-9)7-18-12(17)10-11(14)16-5-4-15-10/h1-6H,7H2,(H2,14,16)
InChIKeyZTQAWPGKBNQDKL-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.55
Rot. Bonds3

About (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate

(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate (PubChem CID 16594702) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate
PubChem CID16594702
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-2-8(6-9)7-18-12(17)10-11(14)16-5-4-15-10/h1-6H,7H2,(H2,14,16)
InChIKeyZTQAWPGKBNQDKL-UHFFFAOYSA-N
XLogP1.55
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate (CID 16594702) is (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate?
The InChIKey is ZTQAWPGKBNQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-2-8(6-9)7-18-12(17)10-11(14)16-5-4-15-10/h1-6H,7H2,(H2,14,16).
What are the key properties of (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate?
(3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 16594702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).