2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten

C9H10NO2W- — CID 58773418

IUPAC2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten
SMILESCc1[c-]c(C)c(C)c(C(=O)O)n1.[W]
InChIInChI=1S/C9H10NO2.W/c1-5-4-6(2)10-8(7(5)3)9(11)12;/h1-3H3,(H,11,12);/q-1;
InChIKeyRNDHFHKKJWECCT-UHFFFAOYSA-N
MW348.02 g/mol
LogP1.50
Rot. Bonds1

About 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten

2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten (PubChem CID 58773418) has the molecular formula C9H10NO2W- and a molecular weight of 348.02 g/mol. Its IUPAC name is 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten.

Molecular Properties

Compound Name2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten
PubChem CID58773418
Molecular FormulaC9H10NO2W-
Molecular Weight348.02 g/mol
Exact Mass348.02
IUPAC Name2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten
SMILESCc1[c-]c(C)c(C)c(C(=O)O)n1.[W]
InChIInChI=1S/C9H10NO2.W/c1-5-4-6(2)10-8(7(5)3)9(11)12;/h1-3H3,(H,11,12);/q-1;
InChIKeyRNDHFHKKJWECCT-UHFFFAOYSA-N
XLogP1.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten?
The IUPAC name of 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten (CID 58773418) is 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten.
What is the SMILES notation for 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten?
The canonical SMILES for 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten is Cc1[c-]c(C)c(C)c(C(=O)O)n1.[W].
What is the InChIKey of 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten?
The InChIKey is RNDHFHKKJWECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.W/c1-5-4-6(2)10-8(7(5)3)9(11)12;/h1-3H3,(H,11,12);/q-1;.
What are the key properties of 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten?
2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten has a molecular weight of 348.02 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3H-pyridin-3-ide-6-carboxylic acid;tungsten is sourced from PubChem (CID 58773418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).