2-(2-methylphenyl)tetrazole-5-carboxylic acid

C9H8N4O2 — CID 66490984

IUPAC2-(2-methylphenyl)tetrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nnc(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-6-4-2-3-5-7(6)13-11-8(9(14)15)10-12-13/h2-5H,1H3,(H,14,15)
InChIKeyKUVRSCZMQXIEGE-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.67
Rot. Bonds2

About 2-(2-methylphenyl)tetrazole-5-carboxylic acid

2-(2-methylphenyl)tetrazole-5-carboxylic acid (PubChem CID 66490984) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(2-methylphenyl)tetrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)tetrazole-5-carboxylic acid
PubChem CID66490984
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(2-methylphenyl)tetrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nnc(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-6-4-2-3-5-7(6)13-11-8(9(14)15)10-12-13/h2-5H,1H3,(H,14,15)
InChIKeyKUVRSCZMQXIEGE-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)tetrazole-5-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)tetrazole-5-carboxylic acid (CID 66490984) is 2-(2-methylphenyl)tetrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)tetrazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)tetrazole-5-carboxylic acid is Cc1ccccc1-n1nnc(C(=O)O)n1.
What is the InChIKey of 2-(2-methylphenyl)tetrazole-5-carboxylic acid?
The InChIKey is KUVRSCZMQXIEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-4-2-3-5-7(6)13-11-8(9(14)15)10-12-13/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-methylphenyl)tetrazole-5-carboxylic acid?
2-(2-methylphenyl)tetrazole-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)tetrazole-5-carboxylic acid is sourced from PubChem (CID 66490984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).