3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)

C8H8NOW+ — CID 18731660

IUPAC3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)
SMILESCc1[c-]nc(C)c(C=O)c1.[W+2]
InChIInChI=1S/C8H8NO.W/c1-6-3-8(5-10)7(2)9-4-6;/h3,5H,1-2H3;/q-1;+2
InChIKeyPKINZUJLAVCFQS-UHFFFAOYSA-N
MW318.00 g/mol
LogP1.31
Rot. Bonds1

About 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)

3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+) (PubChem CID 18731660) has the molecular formula C8H8NOW+ and a molecular weight of 318.00 g/mol. Its IUPAC name is 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+).

Molecular Properties

Compound Name3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)
PubChem CID18731660
Molecular FormulaC8H8NOW+
Molecular Weight318.00 g/mol
Exact Mass318.01
IUPAC Name3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)
SMILESCc1[c-]nc(C)c(C=O)c1.[W+2]
InChIInChI=1S/C8H8NO.W/c1-6-3-8(5-10)7(2)9-4-6;/h3,5H,1-2H3;/q-1;+2
InChIKeyPKINZUJLAVCFQS-UHFFFAOYSA-N
XLogP1.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.00
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)?
The IUPAC name of 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+) (CID 18731660) is 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+).
What is the SMILES notation for 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)?
The canonical SMILES for 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+) is Cc1[c-]nc(C)c(C=O)c1.[W+2].
What is the InChIKey of 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)?
The InChIKey is PKINZUJLAVCFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.W/c1-6-3-8(5-10)7(2)9-4-6;/h3,5H,1-2H3;/q-1;+2.
What are the key properties of 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+)?
3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+) has a molecular weight of 318.00 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2H-pyridin-2-ide-5-carbaldehyde;tungsten(2+) is sourced from PubChem (CID 18731660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).