methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate

C12H9F2N3O2 — CID 66457948

IUPACmethyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-3-2-7(13)4-8(9)14/h2-6H,1H3,(H,16,17)
InChIKeyZTADWJWSLNKZOF-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.29
Rot. Bonds3

About methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate

methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate (PubChem CID 66457948) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
PubChem CID66457948
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Namemethyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-3-2-7(13)4-8(9)14/h2-6H,1H3,(H,16,17)
InChIKeyZTADWJWSLNKZOF-UHFFFAOYSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
methyl 6-(2,3,5-trifluoroanilino)pyrazine-2-carboxylate
CID 66451689
6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid
CID 66449876
methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941
methyl 6-(2-chloro-4-iodoanilino)pyrazine-2-carboxylate
CID 107607035
methyl 6-(2,5-dibromoanilino)pyrazine-2-carboxylate
CID 66449466
methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
CID 107636127
methyl 2-[[3-(2,4-difluoroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968619
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
methyl 6-(3-bromo-2-methylanilino)pyrazine-2-carboxylate
CID 107636036
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate (CID 66457948) is methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate?
The InChIKey is ZTADWJWSLNKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c1-19-12(18)10-5-15-6-11(17-10)16-9-3-2-7(13)4-8(9)14/h2-6H,1H3,(H,16,17).
What are the key properties of methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate?
methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate has a molecular weight of 265.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 66457948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).