2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate

C14H13Cl2N3O3 — CID 174964933

IUPAC2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate
SMILESCOc1nc(N)c(CCOC=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-21-14-12(8-3-2-4-9(15)11(8)16)18-10(13(17)19-14)5-6-22-7-20/h2-4,7H,5-6H2,1H3,(H2,17,19)
InChIKeyXLNWVVLHLROVKV-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.76
Rot. Bonds6

About 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate

2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate (PubChem CID 174964933) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate.

Molecular Properties

Compound Name2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate
PubChem CID174964933
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate
SMILESCOc1nc(N)c(CCOC=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2N3O3/c1-21-14-12(8-3-2-4-9(15)11(8)16)18-10(13(17)19-14)5-6-22-7-20/h2-4,7H,5-6H2,1H3,(H2,17,19)
InChIKeyXLNWVVLHLROVKV-UHFFFAOYSA-N
XLogP2.76
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate?
The IUPAC name of 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate (CID 174964933) is 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate.
What is the SMILES notation for 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate?
The canonical SMILES for 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate is COc1nc(N)c(CCOC=O)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate?
The InChIKey is XLNWVVLHLROVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-21-14-12(8-3-2-4-9(15)11(8)16)18-10(13(17)19-14)5-6-22-7-20/h2-4,7H,5-6H2,1H3,(H2,17,19).
What are the key properties of 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate?
2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate has a molecular weight of 342.18 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,3-dichlorophenyl)-5-methoxypyrazin-2-yl]ethyl formate is sourced from PubChem (CID 174964933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).