CID 11833051

C10H12ClNPd+ — CID 11833051

IUPAC—
SMILESCl[Pd+].[CH2][CH][CH]CCc1ccccn1
InChIInChI=1S/C10H12N.ClH.Pd/c1-2-3-4-7-10-8-5-6-9-11-10;;/h2-3,5-6,8-9H,1,4,7H2;1H;/q;;+2/p-1
InChIKeyWJTIYGWHSBBPCH-UHFFFAOYSA-M
MW288.09 g/mol
LogP2.94
Rot. Bonds4

About CID 11833051

CID 11833051 (PubChem CID 11833051) has the molecular formula C10H12ClNPd+ and a molecular weight of 288.09 g/mol.

Molecular Properties

Compound NameCID 11833051
PubChem CID11833051
Molecular FormulaC10H12ClNPd+
Molecular Weight288.09 g/mol
Exact Mass286.97
IUPAC Name—
SMILESCl[Pd+].[CH2][CH][CH]CCc1ccccn1
InChIInChI=1S/C10H12N.ClH.Pd/c1-2-3-4-7-10-8-5-6-9-11-10;;/h2-3,5-6,8-9H,1,4,7H2;1H;/q;;+2/p-1
InChIKeyWJTIYGWHSBBPCH-UHFFFAOYSA-M
XLogP2.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-ylethyl cyanate
CID 21195134
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2-oct-7-enylpyridine
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2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(2-fluoroethyl)pyridine
CID 23246235
2-prop-2-enylpyridine
CID 3015241
dimethyl(2-pyridin-2-ylethyl)indigane
CID 19877468
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480
5-pyridin-2-ylpentanal
CID 13416615
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739

Frequently Asked Questions

What is the IUPAC name of CID 11833051?
The IUPAC name of CID 11833051 (CID 11833051) is not available.
What is the SMILES notation for CID 11833051?
The canonical SMILES for CID 11833051 is Cl[Pd+].[CH2][CH][CH]CCc1ccccn1.
What is the InChIKey of CID 11833051?
The InChIKey is WJTIYGWHSBBPCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N.ClH.Pd/c1-2-3-4-7-10-8-5-6-9-11-10;;/h2-3,5-6,8-9H,1,4,7H2;1H;/q;;+2/p-1.
What are the key properties of CID 11833051?
CID 11833051 has a molecular weight of 288.09 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11833051 is sourced from PubChem (CID 11833051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).