1,2-dichloroprop-1-ene;pyridin-1-ium;iodide

C8H10Cl2IN — CID 159738262

IUPAC1,2-dichloroprop-1-ene;pyridin-1-ium;iodide
SMILESCC(Cl)=CCl.[I-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C3H4Cl2.HI/c1-2-4-6-5-3-1;1-3(5)2-4;/h1-5H;2H,1H3;1H
InChIKeyNCCOQFSIHNNRIB-UHFFFAOYSA-N
MW317.99 g/mol
LogP-0.17
Rot. Bonds

About 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide

1,2-dichloroprop-1-ene;pyridin-1-ium;iodide (PubChem CID 159738262) has the molecular formula C8H10Cl2IN and a molecular weight of 317.99 g/mol. Its IUPAC name is 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide.

Molecular Properties

Compound Name1,2-dichloroprop-1-ene;pyridin-1-ium;iodide
PubChem CID159738262
Molecular FormulaC8H10Cl2IN
Molecular Weight317.99 g/mol
Exact Mass316.92
IUPAC Name1,2-dichloroprop-1-ene;pyridin-1-ium;iodide
SMILESCC(Cl)=CCl.[I-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C3H4Cl2.HI/c1-2-4-6-5-3-1;1-3(5)2-4;/h1-5H;2H,1H3;1H
InChIKeyNCCOQFSIHNNRIB-UHFFFAOYSA-N
XLogP-0.17
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.99
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide?
The IUPAC name of 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide (CID 159738262) is 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide.
What is the SMILES notation for 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide?
The canonical SMILES for 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide is CC(Cl)=CCl.[I-].c1cc[nH+]cc1.
What is the InChIKey of 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide?
The InChIKey is NCCOQFSIHNNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H4Cl2.HI/c1-2-4-6-5-3-1;1-3(5)2-4;/h1-5H;2H,1H3;1H.
What are the key properties of 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide?
1,2-dichloroprop-1-ene;pyridin-1-ium;iodide has a molecular weight of 317.99 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroprop-1-ene;pyridin-1-ium;iodide is sourced from PubChem (CID 159738262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).