3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine

C22H12Br2Cl2N2 — CID 57342781

IUPAC3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cncc(Br)c2-c2c(Br)cncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H12Br2Cl2N2/c23-19-11-27-9-17(13-1-5-15(25)6-2-13)21(19)22-18(10-28-12-20(22)24)14-3-7-16(26)8-4-14/h1-12H
InChIKeyLDKVILBHJPUUBS-UHFFFAOYSA-N
MW535.07 g/mol
LogP8.31
Rot. Bonds3

About 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine

3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine (PubChem CID 57342781) has the molecular formula C22H12Br2Cl2N2 and a molecular weight of 535.07 g/mol. Its IUPAC name is 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine
PubChem CID57342781
Molecular FormulaC22H12Br2Cl2N2
Molecular Weight535.07 g/mol
Exact Mass531.87
IUPAC Name3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine
SMILESClc1ccc(-c2cncc(Br)c2-c2c(Br)cncc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H12Br2Cl2N2/c23-19-11-27-9-17(13-1-5-15(25)6-2-13)21(19)22-18(10-28-12-20(22)24)14-3-7-16(26)8-4-14/h1-12H
InChIKeyLDKVILBHJPUUBS-UHFFFAOYSA-N
XLogP8.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.07
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-Bromo-3-pyridinyl)methyl]piperidin-4-ylidene]-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10435300
3-[Bis-(4-chloro-phenyl)-methyl]-pyridine
CID 10663041
3-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyridine: (Hydrochloride)
CID 22768057
1-[4-Chlorobenzyl]-4-[4-(pyridin-4-yl)phenylmethyl]-piperazine
CID 44586290
4-[Bis(4-chlorophenyl)methyl]pyridine;hydrochloride
CID 45265107
4-[Bis-(4-chloro-phenyl)-methyl]-pyridine; hydrochloride
CID 22748803
4-Bromo-7-chloroisoquinoline
CID 56973329
4-Bromo-1,7-dichloroisoquinoline
CID 57590885
1,4-Dibromo-7-chloroisoquinoline
CID 97698461
4-Bromo-7-chloroisoquinoline hydrochloride
CID 119031124
2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine
CID 46220750
2-Bromo-3-(4-chlorophenyl)pyridine
CID 71664822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine?
The IUPAC name of 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine (CID 57342781) is 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine.
What is the SMILES notation for 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine?
The canonical SMILES for 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine is Clc1ccc(-c2cncc(Br)c2-c2c(Br)cncc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine?
The InChIKey is LDKVILBHJPUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Br2Cl2N2/c23-19-11-27-9-17(13-1-5-15(25)6-2-13)21(19)22-18(10-28-12-20(22)24)14-3-7-16(26)8-4-14/h1-12H.
What are the key properties of 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine?
3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine has a molecular weight of 535.07 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[3-bromo-5-(4-chlorophenyl)-4-pyridinyl]-5-(4-chlorophenyl)pyridine is sourced from PubChem (CID 57342781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).