methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate

C12H9Cl2N3O2 — CID 66457541

IUPACmethyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-7-2-3-8(13)9(14)4-7/h2-6H,1H3,(H,16,17)
InChIKeyHUGFCGZZEDRRDY-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.31
Rot. Bonds3

About methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate

methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate (PubChem CID 66457541) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
PubChem CID66457541
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Namemethyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-7-2-3-8(13)9(14)4-7/h2-6H,1H3,(H,16,17)
InChIKeyHUGFCGZZEDRRDY-UHFFFAOYSA-N
XLogP3.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(3,4-dichloroanilino)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

Related Compounds

methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
CID 66451733
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
CID 107636127
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
methyl 6-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyrazine-2-carboxylate
CID 66456332
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate (CID 66457541) is methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate?
The InChIKey is HUGFCGZZEDRRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-7-2-3-8(13)9(14)4-7/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate?
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate has a molecular weight of 298.13 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).