4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine

C24H15BrClNO2 — CID 102071898

IUPAC4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H15BrClNO2/c25-19-6-1-15(2-7-19)21-11-18(17-5-10-23-24(13-17)29-14-28-23)12-22(27-21)16-3-8-20(26)9-4-16/h1-13H,14H2
InChIKeyKEORPSVGKCZWSC-UHFFFAOYSA-N
MW464.75 g/mol
LogP7.23
Rot. Bonds3

About 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine

4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine (PubChem CID 102071898) has the molecular formula C24H15BrClNO2 and a molecular weight of 464.75 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
PubChem CID102071898
Molecular FormulaC24H15BrClNO2
Molecular Weight464.75 g/mol
Exact Mass463.00
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C24H15BrClNO2/c25-19-6-1-15(2-7-19)21-11-18(17-5-10-23-24(13-17)29-14-28-23)12-22(27-21)16-3-8-20(26)9-4-16/h1-13H,14H2
InChIKeyKEORPSVGKCZWSC-UHFFFAOYSA-N
XLogP7.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile
CID 1102077
2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
3-(1,3-benzodioxol-5-yl)-1-chloroisoquinoline
CID 22503396
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol
CID 137307190
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 8966777
5-(1,3-benzodioxol-5-yl)-7-chloropyrazolo[1,5-a]pyrimidine
CID 21066363
4-(1,3-benzodioxol-5-yl)-2-chlorophenol
CID 39232296
6-[4-(4-chlorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-[(2,5-dichlorophenyl)methyl]-1,4-benzoxazin-3-one
CID 44724602
2-(1,3-benzodioxol-5-yl)-4-chloro-1,3-thiazole
CID 116892273

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine (CID 102071898) is 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine is Clc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine?
The InChIKey is KEORPSVGKCZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrClNO2/c25-19-6-1-15(2-7-19)21-11-18(17-5-10-23-24(13-17)29-14-28-23)12-22(27-21)16-3-8-20(26)9-4-16/h1-13H,14H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine?
4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine has a molecular weight of 464.75 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-(4-chlorophenyl)pyridine is sourced from PubChem (CID 102071898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).