3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid

C14H8F3N5O2 — CID 67315738

IUPAC3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cn2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H8F3N5O2/c15-14(16,17)10-1-2-12(18-6-10)8-3-9(13(23)24)5-11(4-8)22-7-19-20-21-22/h1-7H,(H,23,24)
InChIKeyYCASVPDWEFLQHM-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.44
Rot. Bonds3

About 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid

3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 67315738) has the molecular formula C14H8F3N5O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID67315738
Molecular FormulaC14H8F3N5O2
Molecular Weight335.25 g/mol
Exact Mass335.06
IUPAC Name3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cn2)cc(-n2cnnn2)c1
InChIInChI=1S/C14H8F3N5O2/c15-14(16,17)10-1-2-12(18-6-10)8-3-9(13(23)24)5-11(4-8)22-7-19-20-21-22/h1-7H,(H,23,24)
InChIKeyYCASVPDWEFLQHM-UHFFFAOYSA-N
XLogP2.44
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 67315738) is 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cn2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is YCASVPDWEFLQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5O2/c15-14(16,17)10-1-2-12(18-6-10)8-3-9(13(23)24)5-11(4-8)22-7-19-20-21-22/h1-7H,(H,23,24).
What are the key properties of 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 335.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 67315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).