1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)

C13H12N2W — CID 58625024

IUPAC1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)
SMILESCCn1ccc[c-]/c1=N\c1[c-]cccc1.[W+2]
InChIInChI=1S/C13H12N2.W/c1-2-15-11-7-6-10-13(15)14-12-8-4-3-5-9-12;/h3-8,11H,2H2,1H3;/q-2;+2/b14-13+;
InChIKeyLSGWRZHRQSWVQZ-IERUDJENSA-N
MW380.09 g/mol
LogP2.34
Rot. Bonds2

About 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)

1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) (PubChem CID 58625024) has the molecular formula C13H12N2W and a molecular weight of 380.09 g/mol. Its IUPAC name is 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+).

Molecular Properties

Compound Name1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)
PubChem CID58625024
Molecular FormulaC13H12N2W
Molecular Weight380.09 g/mol
Exact Mass380.05
IUPAC Name1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)
SMILESCCn1ccc[c-]/c1=N\c1[c-]cccc1.[W+2]
InChIInChI=1S/C13H12N2.W/c1-2-15-11-7-6-10-13(15)14-12-8-4-3-5-9-12;/h3-8,11H,2H2,1H3;/q-2;+2/b14-13+;
InChIKeyLSGWRZHRQSWVQZ-IERUDJENSA-N
XLogP2.34
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4H-pyrido[1,2-a]pyrimidine-4-thione
CID 600595
2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 12404659
Pyrido[1,2-a]pyrimidine
CID 20094215
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283
4-fluoro-N-methyl-1-prop-1-en-2-ylpyridin-2-imine
CID 156652493
copper N-phenylpyridin-1-id-2-imine
CID 134857612
Pyrido[1,2-a]pyrimidinecarbonitrile
CID 146019751
4-Methylpyrido[1,2-a]pyrimidine-2-thione
CID 85546322
8H-pyrido[1,2-c]pyrimidine
CID 22560221
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)?
The IUPAC name of 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) (CID 58625024) is 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+).
What is the SMILES notation for 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)?
The canonical SMILES for 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) is CCn1ccc[c-]/c1=N\c1[c-]cccc1.[W+2].
What is the InChIKey of 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)?
The InChIKey is LSGWRZHRQSWVQZ-IERUDJENSA-N. The full InChI is InChI=1S/C13H12N2.W/c1-2-15-11-7-6-10-13(15)14-12-8-4-3-5-9-12;/h3-8,11H,2H2,1H3;/q-2;+2/b14-13+;.
What are the key properties of 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+)?
1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) has a molecular weight of 380.09 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-phenyl-3H-pyridin-3-id-2-imine;tungsten(2+) is sourced from PubChem (CID 58625024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).