CID 132600813

C12H12BrNOPd- — CID 132600813

About CID 132600813

CID 132600813 (PubChem CID 132600813) has the molecular formula C12H12BrNOPd- and a molecular weight of 372.56 g/mol.

Molecular Properties

• Compound Name: CID 132600813
• PubChem CID: 132600813
• Molecular Formula: C12H12BrNOPd-
• Molecular Weight: 372.56 g/mol
• Exact Mass: 370.91
• IUPAC Name: —
• SMILES: Br.Cc1ccc(/N=C(\[O-])C2[CH]C=C2)cc1.[Pd]
• InChI: InChI=1S/C12H12NO.BrH.Pd/c1-9-5-7-11(8-6-9)13-12(14)10-3-2-4-10;;/h2-8,10H,1H3,(H,13,14);1H;/p-1
• InChIKey: DVIFFSAKLJKYFU-UHFFFAOYSA-M
• XLogP: 2.35
• TPSA: 35.42 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.56
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 132600813?

The IUPAC name of CID 132600813 (CID 132600813) is not available.

What is the SMILES notation for CID 132600813?

The canonical SMILES for CID 132600813 is Br.Cc1ccc(/N=C(\[O-])C2[CH]C=C2)cc1.[Pd].

What is the InChIKey of CID 132600813?

The InChIKey is DVIFFSAKLJKYFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12NO.BrH.Pd/c1-9-5-7-11(8-6-9)13-12(14)10-3-2-4-10;;/h2-8,10H,1H3,(H,13,14);1H;/p-1.

What are the key properties of CID 132600813?

CID 132600813 has a molecular weight of 372.56 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 132600813 is sourced from PubChem (CID 132600813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).