2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine

C20H12Br2N4 — CID 10837995

IUPAC2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
SMILESBrc1cc(-c2ccnc(-c3cc(-c4ccnc(Br)c4)ccn3)c2)ccn1
InChIInChI=1S/C20H12Br2N4/c21-19-11-15(3-7-25-19)13-1-5-23-17(9-13)18-10-14(2-6-24-18)16-4-8-26-20(22)12-16/h1-12H
InChIKeyQXHXJJJMTPEXBN-UHFFFAOYSA-N
MW468.15 g/mol
LogP5.79
Rot. Bonds3

About 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine

2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine (PubChem CID 10837995) has the molecular formula C20H12Br2N4 and a molecular weight of 468.15 g/mol. Its IUPAC name is 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine.

Molecular Properties

Compound Name2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
PubChem CID10837995
Molecular FormulaC20H12Br2N4
Molecular Weight468.15 g/mol
Exact Mass465.94
IUPAC Name2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
SMILESBrc1cc(-c2ccnc(-c3cc(-c4ccnc(Br)c4)ccn3)c2)ccn1
InChIInChI=1S/C20H12Br2N4/c21-19-11-15(3-7-25-19)13-1-5-23-17(9-13)18-10-14(2-6-24-18)16-4-8-26-20(22)12-16/h1-12H
InChIKeyQXHXJJJMTPEXBN-UHFFFAOYSA-N
XLogP5.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.15
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
2,5-Dipyridin-2-ylpyridine
CID 4580671
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
4'-Bromo-2,2':6',2''-terpyridine
CID 10614995
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
X 9121
CID 195376
Nemertelline
CID 3042423
4'-(4-Methylphenyl)-2,2'-6',2''-terpyridine
CID 146114
1~4~,2~4~,3~4~-Tri-tert-butyl-1~2~,2~2~:2~6~,3~2~-terpyridine
CID 4229824
5,5'-Bis(bromomethyl)-2,2'-bipyridine
CID 11056981
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine?
The IUPAC name of 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine (CID 10837995) is 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine.
What is the SMILES notation for 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine?
The canonical SMILES for 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine is Brc1cc(-c2ccnc(-c3cc(-c4ccnc(Br)c4)ccn3)c2)ccn1.
What is the InChIKey of 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine?
The InChIKey is QXHXJJJMTPEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N4/c21-19-11-15(3-7-25-19)13-1-5-23-17(9-13)18-10-14(2-6-24-18)16-4-8-26-20(22)12-16/h1-12H.
What are the key properties of 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine?
2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine has a molecular weight of 468.15 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-[4-(2-bromo-4-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine is sourced from PubChem (CID 10837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).