2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid

C15H10N4O3 — CID 87721860

IUPAC2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(-c2nn[nH]n2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H10N4O3/c20-15(21)13-9(14-16-18-19-17-14)5-6-12-10(13)7-8-3-1-2-4-11(8)22-12/h1-6H,7H2,(H,20,21)(H,16,17,18,19)
InChIKeyUDHFJAFBPDQGGZ-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.26
Rot. Bonds2

About 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid

2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid (PubChem CID 87721860) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid
PubChem CID87721860
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(-c2nn[nH]n2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C15H10N4O3/c20-15(21)13-9(14-16-18-19-17-14)5-6-12-10(13)7-8-3-1-2-4-11(8)22-12/h1-6H,7H2,(H,20,21)(H,16,17,18,19)
InChIKeyUDHFJAFBPDQGGZ-UHFFFAOYSA-N
XLogP2.26
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid?
The IUPAC name of 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid (CID 87721860) is 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid is O=C(O)c1c(-c2nn[nH]n2)ccc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid?
The InChIKey is UDHFJAFBPDQGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15(21)13-9(14-16-18-19-17-14)5-6-12-10(13)7-8-3-1-2-4-11(8)22-12/h1-6H,7H2,(H,20,21)(H,16,17,18,19).
What are the key properties of 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid?
2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-9H-xanthene-1-carboxylic acid is sourced from PubChem (CID 87721860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).