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

C13H12FN3O2 — CID 114059713

IUPACmethyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(C)cc2F)cn1
InChIInChI=1S/C13H12FN3O2/c1-8-3-4-10(9(14)5-8)17-12-7-15-11(6-16-12)13(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyLELARUFMQLZHNZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.45
Rot. Bonds3

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

methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate (PubChem CID 114059713) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
PubChem CID114059713
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namemethyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(C)cc2F)cn1
InChIInChI=1S/C13H12FN3O2/c1-8-3-4-10(9(14)5-8)17-12-7-15-11(6-16-12)13(18)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyLELARUFMQLZHNZ-UHFFFAOYSA-N
XLogP2.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
5-(2,3,4-trifluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292117
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
5-(2-fluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290035
N-(2-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 91756465

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate (CID 114059713) is methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate is COC(=O)c1cnc(Nc2ccc(C)cc2F)cn1.
What is the InChIKey of methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate?
The InChIKey is LELARUFMQLZHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8-3-4-10(9(14)5-8)17-12-7-15-11(6-16-12)13(18)19-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate?
methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate has a molecular weight of 261.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluoro-4-methylanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 114059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).