ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate

C7H7Cl2N3O2 — CID 19778889

IUPACethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O2/c1-2-14-5(13)3-4-10-6(8)12-7(9)11-4/h2-3H2,1H3
InChIKeyIFQPAGDSZAMFTJ-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.28
Rot. Bonds3

About ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate

ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate (PubChem CID 19778889) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate
PubChem CID19778889
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Nameethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O2/c1-2-14-5(13)3-4-10-6(8)12-7(9)11-4/h2-3H2,1H3
InChIKeyIFQPAGDSZAMFTJ-UHFFFAOYSA-N
XLogP1.28
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate?
The IUPAC name of ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate (CID 19778889) is ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate is CCOC(=O)Cc1nc(Cl)nc(Cl)n1.
What is the InChIKey of ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate?
The InChIKey is IFQPAGDSZAMFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-2-14-5(13)3-4-10-6(8)12-7(9)11-4/h2-3H2,1H3.
What are the key properties of ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate?
ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate has a molecular weight of 236.06 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dichloro-1,3,5-triazin-2-yl)acetate is sourced from PubChem (CID 19778889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).