phenyl pyrazine-2-carboxylate

C11H8N2O2 — CID 69469384

IUPACphenyl pyrazine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cnccn1
InChIInChI=1S/C11H8N2O2/c14-11(10-8-12-6-7-13-10)15-9-4-2-1-3-5-9/h1-8H
InChIKeyKELVZEPBVDRQNR-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.70
Rot. Bonds2

About phenyl pyrazine-2-carboxylate

phenyl pyrazine-2-carboxylate (PubChem CID 69469384) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is phenyl pyrazine-2-carboxylate.

Molecular Properties

Compound Namephenyl pyrazine-2-carboxylate
PubChem CID69469384
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Namephenyl pyrazine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cnccn1
InChIInChI=1S/C11H8N2O2/c14-11(10-8-12-6-7-13-10)15-9-4-2-1-3-5-9/h1-8H
InChIKeyKELVZEPBVDRQNR-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3,6-Trimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2446375
(2,3-Dichlorophenyl) 5-methylpyrazine-2-carboxylate
CID 2448619
(4-Cyanophenyl) pyrazine-2-carboxylate
CID 2487110
(4-Methoxycarbonylphenyl) pyrazine-2-carboxylate
CID 2678019
(4-Phenylphenyl) 5-methylpyrazine-2-carboxylate
CID 7926506
Pyrazinecarboxylic acid, p-nitrophenyl ester
CID 122712
Pyrazinecarboxylic acid, 4-methylphenyl ester
CID 122713
Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
CID 122714
Pyrazinecarboxylic acid, pentafluorophenyl ester
CID 122715
4-(Phenoxycarbonyl)benzyl 2-pyrazinecarboxylate
CID 976280
(4-Propanoylphenyl) pyrazine-2-carboxylate
CID 2445369
Methyl 6-[(2,4-dichlorophenoxy)methyl]-2-pyrazinecarboxylate
CID 155153755

Frequently Asked Questions

What is the IUPAC name of phenyl pyrazine-2-carboxylate?
The IUPAC name of phenyl pyrazine-2-carboxylate (CID 69469384) is phenyl pyrazine-2-carboxylate.
What is the SMILES notation for phenyl pyrazine-2-carboxylate?
The canonical SMILES for phenyl pyrazine-2-carboxylate is O=C(Oc1ccccc1)c1cnccn1.
What is the InChIKey of phenyl pyrazine-2-carboxylate?
The InChIKey is KELVZEPBVDRQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(10-8-12-6-7-13-10)15-9-4-2-1-3-5-9/h1-8H.
What are the key properties of phenyl pyrazine-2-carboxylate?
phenyl pyrazine-2-carboxylate has a molecular weight of 200.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl pyrazine-2-carboxylate is sourced from PubChem (CID 69469384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).