(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate

C14H12N2O4 — CID 7956905

IUPAC(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C14H12N2O4/c1-9-7-16-12(8-15-9)14(18)20-11-5-3-10(4-6-11)13(17)19-2/h3-8H,1-2H3
InChIKeyIGFFSMXKEFOFLV-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.79
Rot. Bonds3

About (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate

(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate (PubChem CID 7956905) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
PubChem CID7956905
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cnc(C)cn2)cc1
InChIInChI=1S/C14H12N2O4/c1-9-7-16-12(8-15-9)14(18)20-11-5-3-10(4-6-11)13(17)19-2/h3-8H,1-2H3
InChIKeyIGFFSMXKEFOFLV-UHFFFAOYSA-N
XLogP1.79
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-iodophenyl) 5-methylpyrazine-2-carboxylate
CID 47099393
(3,4-dimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2457299
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
CID 7802632
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
(2,6-dimethoxyphenyl) 5-methylpyrazine-2-carboxylate
CID 18074634
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
methyl 4-methoxycarbonyloxybenzoate
CID 584598
(4-methylphenyl) 5-aminopyrazine-2-carboxylate
CID 117213160
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate (CID 7956905) is (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate is COC(=O)c1ccc(OC(=O)c2cnc(C)cn2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is IGFFSMXKEFOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-7-16-12(8-15-9)14(18)20-11-5-3-10(4-6-11)13(17)19-2/h3-8H,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate?
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7956905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).