6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone

C33H24Br2N6O2 — CID 158400448

IUPAC6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone
SMILESBrc1cccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)n1.CC(=O)c1cccnc1.O=Cc1cccc(Br)n1
InChIInChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-7-1-6-17(25-20)16-10-18(14-4-2-8-22-12-14)24-19(11-16)15-5-3-9-23-13-15;1-6(9)7-3-2-4-8-5-7;7-6-3-1-2-5(4-9)8-6/h1-13H;2-5H,1H3;1-4H
InChIKeyGYARGOYCYUBUMA-UHFFFAOYSA-N
MW696.40 g/mol
LogP7.97
Rot. Bonds5

About 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone

6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone (PubChem CID 158400448) has the molecular formula C33H24Br2N6O2 and a molecular weight of 696.40 g/mol. Its IUPAC name is 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone.

Molecular Properties

Compound Name6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone
PubChem CID158400448
Molecular FormulaC33H24Br2N6O2
Molecular Weight696.40 g/mol
Exact Mass694.03
IUPAC Name6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone
SMILESBrc1cccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)n1.CC(=O)c1cccnc1.O=Cc1cccc(Br)n1
InChIInChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-7-1-6-17(25-20)16-10-18(14-4-2-8-22-12-14)24-19(11-16)15-5-3-9-23-13-15;1-6(9)7-3-2-4-8-5-7;7-6-3-1-2-5(4-9)8-6/h1-13H;2-5H,1H3;1-4H
InChIKeyGYARGOYCYUBUMA-UHFFFAOYSA-N
XLogP7.97
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.40
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(5-Bromo-2-fluoro-3-pyridinyl)-[5-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
CID 170546173
5,5'-([2,2'-Bipyridine]-5,5'-diylbis(ethane-2,1-diyl))dipicolinaldehyde
CID 53389305
1-[6-(6-Acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
CID 91171818
Copper;bis([6-(pyridine-3-carbonyl)-2-pyridinyl]-pyridin-3-ylmethanone);ditetrafluoroborate
CID 139194650
2-(4-Methyl-2-pyridinyl)pyridine-4-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium
CID 139258422
Dioxidanium;cadmium(2+);bis([6-(pyridine-3-carbonyl)-2-pyridinyl]-pyridin-3-ylmethanone);dinitrate
CID 168345129
1-(6-Bromopyridin-2-yl)-2,2-dipyridin-3-ylethanone
CID 57425783
Bis(6-pyridin-3-yl-2-pyridinyl)methanone
CID 57615676
6-(3,4-Diformyl-2-pyridinyl)-4,5-dipyridin-2-ylpyridine-2,3-dicarbaldehyde
CID 87124396
(6-Bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 88155989
(2-Bromo-3-pyridinyl)-(6-bromo-2-pyridinyl)methanone
CID 88556728
Bis(4-methylphenyl)methanone;dipyridin-2-ylmethanone;phenyl(pyridin-3-yl)methanone
CID 123873878

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone?
The IUPAC name of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone (CID 158400448) is 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone.
What is the SMILES notation for 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone?
The canonical SMILES for 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone is Brc1cccc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)n1.CC(=O)c1cccnc1.O=Cc1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone?
The InChIKey is GYARGOYCYUBUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-7-1-6-17(25-20)16-10-18(14-4-2-8-22-12-14)24-19(11-16)15-5-3-9-23-13-15;1-6(9)7-3-2-4-8-5-7;7-6-3-1-2-5(4-9)8-6/h1-13H;2-5H,1H3;1-4H.
What are the key properties of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone?
6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone has a molecular weight of 696.40 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-3-ylpyridine;1-pyridin-3-ylethanone is sourced from PubChem (CID 158400448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).