6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten

C9H12NW- — CID 170601077

IUPAC6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten
SMILESCc1cc[c-]c(C(C)C)n1.[W]
InChIInChI=1S/C9H12N.W/c1-7(2)9-6-4-5-8(3)10-9;/h4-5,7H,1-3H3;/q-1;
InChIKeyZOQMTASPNHIWRU-UHFFFAOYSA-N
MW318.04 g/mol
LogP2.31
Rot. Bonds1

About 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten

6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten (PubChem CID 170601077) has the molecular formula C9H12NW- and a molecular weight of 318.04 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten
PubChem CID170601077
Molecular FormulaC9H12NW-
Molecular Weight318.04 g/mol
Exact Mass318.05
IUPAC Name6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten
SMILESCc1cc[c-]c(C(C)C)n1.[W]
InChIInChI=1S/C9H12N.W/c1-7(2)9-6-4-5-8(3)10-9;/h4-5,7H,1-3H3;/q-1;
InChIKeyZOQMTASPNHIWRU-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.04
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten?
The IUPAC name of 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten (CID 170601077) is 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten.
What is the SMILES notation for 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten?
The canonical SMILES for 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten is Cc1cc[c-]c(C(C)C)n1.[W].
What is the InChIKey of 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten?
The InChIKey is ZOQMTASPNHIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.W/c1-7(2)9-6-4-5-8(3)10-9;/h4-5,7H,1-3H3;/q-1;.
What are the key properties of 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten?
6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten has a molecular weight of 318.04 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-3H-pyridin-3-ide;tungsten is sourced from PubChem (CID 170601077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).