methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate

C14H11ClFN3O3 — CID 59769256

IUPACmethyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN3O3/c1-22-14(21)12-13(18-6-5-17-12)19-11(20)7-8-9(15)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyCASVTETZYXZVAG-UHFFFAOYSA-N
MW323.71 g/mol
LogP2.24
Rot. Bonds4

About methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate

methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate (PubChem CID 59769256) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate
PubChem CID59769256
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Namemethyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN3O3/c1-22-14(21)12-13(18-6-5-17-12)19-11(20)7-8-9(15)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyCASVTETZYXZVAG-UHFFFAOYSA-N
XLogP2.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate (CID 59769256) is methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate is COC(=O)c1nccnc1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate?
The InChIKey is CASVTETZYXZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c1-22-14(21)12-13(18-6-5-17-12)19-11(20)7-8-9(15)3-2-4-10(8)16/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate?
methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate has a molecular weight of 323.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 59769256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).