5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid

C13H13ClN4O2 — CID 62075212

IUPAC5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C13H13ClN4O2/c14-9-5-6-11(10(7-9)13(19)20)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4H2,(H,19,20)
InChIKeyKYIJNOFNOFVPKP-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.67
Rot. Bonds3

About 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid

5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid (PubChem CID 62075212) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
PubChem CID62075212
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1-n1nnnc1C1CCCC1
InChIInChI=1S/C13H13ClN4O2/c14-9-5-6-11(10(7-9)13(19)20)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4H2,(H,19,20)
InChIKeyKYIJNOFNOFVPKP-UHFFFAOYSA-N
XLogP2.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid?
The IUPAC name of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid (CID 62075212) is 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid.
What is the SMILES notation for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid?
The canonical SMILES for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid is O=C(O)c1cc(Cl)ccc1-n1nnnc1C1CCCC1.
What is the InChIKey of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid?
The InChIKey is KYIJNOFNOFVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-5-6-11(10(7-9)13(19)20)18-12(15-16-17-18)8-3-1-2-4-8/h5-8H,1-4H2,(H,19,20).
What are the key properties of 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid?
5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid has a molecular weight of 292.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid is sourced from PubChem (CID 62075212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).