(4-chlorophenyl) 5-aminopyrazine-2-carboxylate

C11H8ClN3O2 — CID 117213165

IUPAC(4-chlorophenyl) 5-aminopyrazine-2-carboxylate
SMILESNc1cnc(C(=O)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H8ClN3O2/c12-7-1-3-8(4-2-7)17-11(16)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15)
InChIKeyLXRLEWPRYBWZOL-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.93
Rot. Bonds2

About (4-chlorophenyl) 5-aminopyrazine-2-carboxylate

(4-chlorophenyl) 5-aminopyrazine-2-carboxylate (PubChem CID 117213165) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is (4-chlorophenyl) 5-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl) 5-aminopyrazine-2-carboxylate
PubChem CID117213165
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name(4-chlorophenyl) 5-aminopyrazine-2-carboxylate
SMILESNc1cnc(C(=O)Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H8ClN3O2/c12-7-1-3-8(4-2-7)17-11(16)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15)
InChIKeyLXRLEWPRYBWZOL-UHFFFAOYSA-N
XLogP1.93
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 5-aminopyrazine-2-carboxylate
CID 117213160
(2-hydroxyphenyl) 5-aminopyrazine-2-carboxylate
CID 117213115
methyl 5-(4-chlorophenoxy)pyrazine-2-carboxylate
CID 114059645
(4-chlorophenyl) 3-amino-1-methylpyrazole-5-carboxylate
CID 117218391
(4-chlorophenyl) 5-amino-1-methylpyrazole-4-carboxylate
CID 117213683
(4-iodophenyl) 5-methylpyrazine-2-carboxylate
CID 47099393
3-(4-chlorophenoxy)carbonyl-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117215568
(4-chlorophenyl) 5-amino-1,1-dioxo-1,2-thiazole-4-carboxylate
CID 117213443
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
methyl 5-chloropyridine-2-carboxylate
CID 11298216
(4-chlorophenyl) acetate
CID 13410

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 5-aminopyrazine-2-carboxylate?
The IUPAC name of (4-chlorophenyl) 5-aminopyrazine-2-carboxylate (CID 117213165) is (4-chlorophenyl) 5-aminopyrazine-2-carboxylate.
What is the SMILES notation for (4-chlorophenyl) 5-aminopyrazine-2-carboxylate?
The canonical SMILES for (4-chlorophenyl) 5-aminopyrazine-2-carboxylate is Nc1cnc(C(=O)Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of (4-chlorophenyl) 5-aminopyrazine-2-carboxylate?
The InChIKey is LXRLEWPRYBWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-1-3-8(4-2-7)17-11(16)9-5-15-10(13)6-14-9/h1-6H,(H2,13,15).
What are the key properties of (4-chlorophenyl) 5-aminopyrazine-2-carboxylate?
(4-chlorophenyl) 5-aminopyrazine-2-carboxylate has a molecular weight of 249.66 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 5-aminopyrazine-2-carboxylate is sourced from PubChem (CID 117213165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).