methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate

C13H12ClN3O2 — CID 107636127

IUPACmethyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)10(5-8)16-12-7-15-6-11(17-12)13(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyPVIBVYBHRLTNMX-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.97
Rot. Bonds3

About methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate

methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate (PubChem CID 107636127) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
PubChem CID107636127
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Namemethyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2cc(C)ccc2Cl)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)10(5-8)16-12-7-15-6-11(17-12)13(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyPVIBVYBHRLTNMX-UHFFFAOYSA-N
XLogP2.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
CID 66449466
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
methyl 6-(3-bromo-2-methylanilino)pyrazine-2-carboxylate
CID 107636036
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(2,3,5-trifluoroanilino)pyrazine-2-carboxylate
CID 66451689
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate (CID 107636127) is methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2cc(C)ccc2Cl)n1.
What is the InChIKey of methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate?
The InChIKey is PVIBVYBHRLTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-3-4-9(14)10(5-8)16-12-7-15-6-11(17-12)13(18)19-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate?
methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate has a molecular weight of 277.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 107636127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).