dichloromethane;pyridine-2,5-dione

C6H5Cl2NO2 — CID 157470922

IUPACdichloromethane;pyridine-2,5-dione
SMILESClCCl.O=C1C=CC(=O)N=C1
InChIInChI=1S/C5H3NO2.CH2Cl2/c7-4-1-2-5(8)6-3-4;2-1-3/h1-3H;1H2
InChIKeyBVAILKQFONSFIS-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.14
Rot. Bonds

About dichloromethane;pyridine-2,5-dione

dichloromethane;pyridine-2,5-dione (PubChem CID 157470922) has the molecular formula C6H5Cl2NO2 and a molecular weight of 194.02 g/mol. Its IUPAC name is dichloromethane;pyridine-2,5-dione.

Molecular Properties

Compound Namedichloromethane;pyridine-2,5-dione
PubChem CID157470922
Molecular FormulaC6H5Cl2NO2
Molecular Weight194.02 g/mol
Exact Mass192.97
IUPAC Namedichloromethane;pyridine-2,5-dione
SMILESClCCl.O=C1C=CC(=O)N=C1
InChIInChI=1S/C5H3NO2.CH2Cl2/c7-4-1-2-5(8)6-3-4;2-1-3/h1-3H;1H2
InChIKeyBVAILKQFONSFIS-UHFFFAOYSA-N
XLogP1.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;pyridine-2,5-dione?
The IUPAC name of dichloromethane;pyridine-2,5-dione (CID 157470922) is dichloromethane;pyridine-2,5-dione.
What is the SMILES notation for dichloromethane;pyridine-2,5-dione?
The canonical SMILES for dichloromethane;pyridine-2,5-dione is ClCCl.O=C1C=CC(=O)N=C1.
What is the InChIKey of dichloromethane;pyridine-2,5-dione?
The InChIKey is BVAILKQFONSFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO2.CH2Cl2/c7-4-1-2-5(8)6-3-4;2-1-3/h1-3H;1H2.
What are the key properties of dichloromethane;pyridine-2,5-dione?
dichloromethane;pyridine-2,5-dione has a molecular weight of 194.02 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;pyridine-2,5-dione is sourced from PubChem (CID 157470922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).