2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid

C14H9FN4O2 — CID 79516990

IUPAC2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid
SMILESO=C(O)c1c(F)cccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H9FN4O2/c15-10-7-4-8-11(12(10)14(20)21)19-17-13(16-18-19)9-5-2-1-3-6-9/h1-8H,(H,20,21)
InChIKeyPXSMYEJUHGRMSV-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid

2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid (PubChem CID 79516990) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid
PubChem CID79516990
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid
SMILESO=C(O)c1c(F)cccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H9FN4O2/c15-10-7-4-8-11(12(10)14(20)21)19-17-13(16-18-19)9-5-2-1-3-6-9/h1-8H,(H,20,21)
InChIKeyPXSMYEJUHGRMSV-UHFFFAOYSA-N
XLogP2.17
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid?
The IUPAC name of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid (CID 79516990) is 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid is O=C(O)c1c(F)cccc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid?
The InChIKey is PXSMYEJUHGRMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-10-7-4-8-11(12(10)14(20)21)19-17-13(16-18-19)9-5-2-1-3-6-9/h1-8H,(H,20,21).
What are the key properties of 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid?
2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid has a molecular weight of 284.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid is sourced from PubChem (CID 79516990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).