3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine

C22H14Br2N2 — CID 57342616

IUPAC3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine
SMILESBrc1cncc(Br)c1-c1c(-c2ccccc2)cncc1-c1ccccc1
InChIInChI=1S/C22H14Br2N2/c23-19-13-26-14-20(24)22(19)21-17(15-7-3-1-4-8-15)11-25-12-18(21)16-9-5-2-6-10-16/h1-14H
InChIKeyPCJUSQMLXXOZKF-UHFFFAOYSA-N
MW466.18 g/mol
LogP7.00
Rot. Bonds3

About 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine

3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine (PubChem CID 57342616) has the molecular formula C22H14Br2N2 and a molecular weight of 466.18 g/mol. Its IUPAC name is 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine.

Molecular Properties

Compound Name3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine
PubChem CID57342616
Molecular FormulaC22H14Br2N2
Molecular Weight466.18 g/mol
Exact Mass463.95
IUPAC Name3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine
SMILESBrc1cncc(Br)c1-c1c(-c2ccccc2)cncc1-c1ccccc1
InChIInChI=1S/C22H14Br2N2/c23-19-13-26-14-20(24)22(19)21-17(15-7-3-1-4-8-15)11-25-12-18(21)16-9-5-2-6-10-16/h1-14H
InChIKeyPCJUSQMLXXOZKF-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Zimelidine
CID 5365247
Benzylviologen
CID 14196
4-Bromoisoquinoline
CID 73743
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
4,4'-Bipyridinium, 1,1'-dibenzyl-, dichloride
CID 14195
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
Zimelidine hydrochloride
CID 22313112
1-[3-[4-[4-[3-(3,4-Dimethylpyridin-1-ium-1-yl)propyl]phenyl]phenyl]propyl]-3,4-dimethylpyridin-1-ium dibromide
CID 24743361
4,4'-Biisoquinoline
CID 817553
3,5-Diphenylpyridine
CID 66692
4-(4-Bromophenyl)pyridine
CID 616283
2-Bromo-5-phenylpyridine
CID 2762875

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine?
The IUPAC name of 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine (CID 57342616) is 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine.
What is the SMILES notation for 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine?
The canonical SMILES for 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine is Brc1cncc(Br)c1-c1c(-c2ccccc2)cncc1-c1ccccc1.
What is the InChIKey of 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine?
The InChIKey is PCJUSQMLXXOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2/c23-19-13-26-14-20(24)22(19)21-17(15-7-3-1-4-8-15)11-25-12-18(21)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine?
3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine has a molecular weight of 466.18 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(3,5-diphenyl-4-pyridinyl)pyridine is sourced from PubChem (CID 57342616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).