2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine

C15H12Cl3NO2 — CID 86120091

IUPAC2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine
SMILESClc1ccc(CC2(c3ccc(Cl)nc3)OCCO2)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c16-12-3-1-10(13(17)7-12)8-15(20-5-6-21-15)11-2-4-14(18)19-9-11/h1-4,7,9H,5-6,8H2
InChIKeyZZJOOOZOYQUZPS-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.48
Rot. Bonds3

About 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine

2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine (PubChem CID 86120091) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine
PubChem CID86120091
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine
SMILESClc1ccc(CC2(c3ccc(Cl)nc3)OCCO2)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c16-12-3-1-10(13(17)7-12)8-15(20-5-6-21-15)11-2-4-14(18)19-9-11/h1-4,7,9H,5-6,8H2
InChIKeyZZJOOOZOYQUZPS-UHFFFAOYSA-N
XLogP4.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine?
The IUPAC name of 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine (CID 86120091) is 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine?
The canonical SMILES for 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine is Clc1ccc(CC2(c3ccc(Cl)nc3)OCCO2)c(Cl)c1.
What is the InChIKey of 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine?
The InChIKey is ZZJOOOZOYQUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c16-12-3-1-10(13(17)7-12)8-15(20-5-6-21-15)11-2-4-14(18)19-9-11/h1-4,7,9H,5-6,8H2.
What are the key properties of 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine?
2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine has a molecular weight of 344.63 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(2,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]pyridine is sourced from PubChem (CID 86120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).