methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate

C13H11FN2O2 — CID 58997472

IUPACmethyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C13H11FN2O2/c1-8-5-9(14)3-4-10(8)11-6-16-12(7-15-11)13(17)18-2/h3-7H,1-2H3
InChIKeyDCZIECYKYUEKSM-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.38
Rot. Bonds2

About methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate

methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate (PubChem CID 58997472) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate
PubChem CID58997472
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namemethyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(F)cc2C)cn1
InChIInChI=1S/C13H11FN2O2/c1-8-5-9(14)3-4-10(8)11-6-16-12(7-15-11)13(17)18-2/h3-7H,1-2H3
InChIKeyDCZIECYKYUEKSM-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate (CID 58997472) is methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate is COC(=O)c1cnc(-c2ccc(F)cc2C)cn1.
What is the InChIKey of methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate?
The InChIKey is DCZIECYKYUEKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-5-9(14)3-4-10(8)11-6-16-12(7-15-11)13(17)18-2/h3-7H,1-2H3.
What are the key properties of methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate?
methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate has a molecular weight of 246.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 58997472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).