[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate

C12H10FN5O2 — CID 71519356

IUPAC[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate
SMILESCC(=O)OCn1nnc(-c2ccc(F)c3cc[nH]c23)n1
InChIInChI=1S/C12H10FN5O2/c1-7(19)20-6-18-16-12(15-17-18)9-2-3-10(13)8-4-5-14-11(8)9/h2-5,14H,6H2,1H3
InChIKeyRPAIRPGFJFIVPR-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.48
Rot. Bonds3

About [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate

[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate (PubChem CID 71519356) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate
PubChem CID71519356
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC Name[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate
SMILESCC(=O)OCn1nnc(-c2ccc(F)c3cc[nH]c23)n1
InChIInChI=1S/C12H10FN5O2/c1-7(19)20-6-18-16-12(15-17-18)9-2-3-10(13)8-4-5-14-11(8)9/h2-5,14H,6H2,1H3
InChIKeyRPAIRPGFJFIVPR-UHFFFAOYSA-N
XLogP1.48
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate?
The IUPAC name of [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate (CID 71519356) is [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate.
What is the SMILES notation for [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate?
The canonical SMILES for [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate is CC(=O)OCn1nnc(-c2ccc(F)c3cc[nH]c23)n1.
What is the InChIKey of [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate?
The InChIKey is RPAIRPGFJFIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2/c1-7(19)20-6-18-16-12(15-17-18)9-2-3-10(13)8-4-5-14-11(8)9/h2-5,14H,6H2,1H3.
What are the key properties of [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate?
[5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate has a molecular weight of 275.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-1H-indol-7-yl)tetrazol-2-yl]methyl acetate is sourced from PubChem (CID 71519356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).