4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid

C10H9FN4O2 — CID 63189789

IUPAC4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid
SMILESCCc1nnnn1-c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H9FN4O2/c1-2-9-12-13-14-15(9)8-4-3-6(10(16)17)5-7(8)11/h3-5H,2H2,1H3,(H,16,17)
InChIKeyIVIURQIRJPMTLK-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.06
Rot. Bonds3

About 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid

4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid (PubChem CID 63189789) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid
PubChem CID63189789
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid
SMILESCCc1nnnn1-c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H9FN4O2/c1-2-9-12-13-14-15(9)8-4-3-6(10(16)17)5-7(8)11/h3-5H,2H2,1H3,(H,16,17)
InChIKeyIVIURQIRJPMTLK-UHFFFAOYSA-N
XLogP1.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid (CID 63189789) is 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid is CCc1nnnn1-c1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid?
The InChIKey is IVIURQIRJPMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-2-9-12-13-14-15(9)8-4-3-6(10(16)17)5-7(8)11/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid?
4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid has a molecular weight of 236.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyltetrazol-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 63189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).