3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium

C8H8NO2Y- — CID 58165875

IUPAC3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
SMILESCc1c(N)[c-]ccc1C(=O)O.[Y]
InChIInChI=1S/C8H8NO2.Y/c1-5-6(8(10)11)3-2-4-7(5)9;/h2-3H,9H2,1H3,(H,10,11);/q-1;
InChIKeyIVOQRRXXYIRYDT-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.07
Rot. Bonds1

About 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium

3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium (PubChem CID 58165875) has the molecular formula C8H8NO2Y- and a molecular weight of 239.06 g/mol. Its IUPAC name is 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium.

Molecular Properties

Compound Name3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
PubChem CID58165875
Molecular FormulaC8H8NO2Y-
Molecular Weight239.06 g/mol
Exact Mass238.96
IUPAC Name3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium
SMILESCc1c(N)[c-]ccc1C(=O)O.[Y]
InChIInChI=1S/C8H8NO2.Y/c1-5-6(8(10)11)3-2-4-7(5)9;/h2-3H,9H2,1H3,(H,10,11);/q-1;
InChIKeyIVOQRRXXYIRYDT-UHFFFAOYSA-N
XLogP1.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium?
The IUPAC name of 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium (CID 58165875) is 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium.
What is the SMILES notation for 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium?
The canonical SMILES for 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium is Cc1c(N)[c-]ccc1C(=O)O.[Y].
What is the InChIKey of 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium?
The InChIKey is IVOQRRXXYIRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO2.Y/c1-5-6(8(10)11)3-2-4-7(5)9;/h2-3H,9H2,1H3,(H,10,11);/q-1;.
What are the key properties of 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium?
3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium has a molecular weight of 239.06 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylbenzene-4-ide-1-carboxylic acid;yttrium is sourced from PubChem (CID 58165875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).