ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate

C11H11ClN4O2 — CID 863228

IUPACethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyDWTATFFXYVNHEB-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.56
Rot. Bonds4

About ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate

ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate (PubChem CID 863228) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
PubChem CID863228
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Nameethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyDWTATFFXYVNHEB-UHFFFAOYSA-N
XLogP1.56
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate (CID 863228) is ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The InChIKey is DWTATFFXYVNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-18-10(17)7-16-14-11(13-15-16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate has a molecular weight of 266.69 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 863228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).