methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate

C12H10ClN3O2 — CID 58870301

IUPACmethyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(-c2ccccc2)nc1N
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)9-11(14)16-8(10(13)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,16)
InChIKeyWSKZJWNLXWZAMH-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.17
Rot. Bonds2

About methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate

methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate (PubChem CID 58870301) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
PubChem CID58870301
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Namemethyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(-c2ccccc2)nc1N
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)9-11(14)16-8(10(13)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,16)
InChIKeyWSKZJWNLXWZAMH-UHFFFAOYSA-N
XLogP2.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-6-chloro-5-phenylpyrazine-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 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate (CID 58870301) is methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(-c2ccccc2)nc1N.
What is the InChIKey of methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate?
The InChIKey is WSKZJWNLXWZAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-18-12(17)9-11(14)16-8(10(13)15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H2,14,16).
What are the key properties of methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate?
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate is sourced from PubChem (CID 58870301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).