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

C8H10ClN3O3 — CID 12655415

IUPACethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H10ClN3O3/c1-3-15-6(13)4-5-10-7(9)12-8(11-5)14-2/h3-4H2,1-2H3
InChIKeyBCSKWEHLAFECFT-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.64
Rot. Bonds4

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

ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate (PubChem CID 12655415) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate
PubChem CID12655415
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Nameethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H10ClN3O3/c1-3-15-6(13)4-5-10-7(9)12-8(11-5)14-2/h3-4H2,1-2H3
InChIKeyBCSKWEHLAFECFT-UHFFFAOYSA-N
XLogP0.64
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate (CID 12655415) is ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate is CCOC(=O)Cc1nc(Cl)nc(OC)n1.
What is the InChIKey of ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate?
The InChIKey is BCSKWEHLAFECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-3-15-6(13)4-5-10-7(9)12-8(11-5)14-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate?
ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate has a molecular weight of 231.64 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)acetate is sourced from PubChem (CID 12655415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).