N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)

C12H10N2W — CID 59093785

IUPACN-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
SMILES[W+2].[c-]1ncccc1CNc1[c-]cccc1
InChIInChI=1S/C12H10N2.W/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-6,8,14H,10H2;/q-2;+2
InChIKeyZYBRTCZEPASOPV-UHFFFAOYSA-N
MW366.07 g/mol
LogP2.29
Rot. Bonds3

About N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)

N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+) (PubChem CID 59093785) has the molecular formula C12H10N2W and a molecular weight of 366.07 g/mol. Its IUPAC name is N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+).

Molecular Properties

Compound NameN-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
PubChem CID59093785
Molecular FormulaC12H10N2W
Molecular Weight366.07 g/mol
Exact Mass366.04
IUPAC NameN-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
SMILES[W+2].[c-]1ncccc1CNc1[c-]cccc1
InChIInChI=1S/C12H10N2.W/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-6,8,14H,10H2;/q-2;+2
InChIKeyZYBRTCZEPASOPV-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2H-pyridin-2-id-3-ylmethyl)aniline;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

Frequently Asked Questions

What is the IUPAC name of N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)?
The IUPAC name of N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+) (CID 59093785) is N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+).
What is the SMILES notation for N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)?
The canonical SMILES for N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+) is [W+2].[c-]1ncccc1CNc1[c-]cccc1.
What is the InChIKey of N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)?
The InChIKey is ZYBRTCZEPASOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.W/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11;/h1-6,8,14H,10H2;/q-2;+2.
What are the key properties of N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)?
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+) has a molecular weight of 366.07 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+) is sourced from PubChem (CID 59093785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).