ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate

C11H10F3N5O2 — CID 2745964

IUPACethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N5O2/c1-2-21-9(20)6-19-17-10(16-18-19)8-4-3-7(5-15-8)11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyWJRGFUSCOOIWPA-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate

ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate (PubChem CID 2745964) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate
PubChem CID2745964
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Nameethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H10F3N5O2/c1-2-21-9(20)6-19-17-10(16-18-19)8-4-3-7(5-15-8)11(12,13)14/h3-5H,2,6H2,1H3
InChIKeyWJRGFUSCOOIWPA-UHFFFAOYSA-N
XLogP1.32
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate (CID 2745964) is ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate?
The InChIKey is WJRGFUSCOOIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-2-21-9(20)6-19-17-10(16-18-19)8-4-3-7(5-15-8)11(12,13)14/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate?
ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate has a molecular weight of 301.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 2745964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).