3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine

C15H15BrClNO2 — CID 141276156

IUPAC3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine
SMILESCN1C=C(C2(c3ccc(Cl)cc3)OCCO2)C=C(Br)C1
InChIInChI=1S/C15H15BrClNO2/c1-18-9-12(8-13(16)10-18)15(19-6-7-20-15)11-2-4-14(17)5-3-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyNLUKSQFAFLEEAN-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.65
Rot. Bonds2

About 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine

3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine (PubChem CID 141276156) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine
PubChem CID141276156
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine
SMILESCN1C=C(C2(c3ccc(Cl)cc3)OCCO2)C=C(Br)C1
InChIInChI=1S/C15H15BrClNO2/c1-18-9-12(8-13(16)10-18)15(19-6-7-20-15)11-2-4-14(17)5-3-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyNLUKSQFAFLEEAN-UHFFFAOYSA-N
XLogP3.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine?
The IUPAC name of 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine (CID 141276156) is 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine.
What is the SMILES notation for 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine?
The canonical SMILES for 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine is CN1C=C(C2(c3ccc(Cl)cc3)OCCO2)C=C(Br)C1.
What is the InChIKey of 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine?
The InChIKey is NLUKSQFAFLEEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-18-9-12(8-13(16)10-18)15(19-6-7-20-15)11-2-4-14(17)5-3-11/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine?
3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine has a molecular weight of 356.65 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]-1-methyl-2H-pyridine is sourced from PubChem (CID 141276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).