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

C33H24Br2N6O2 — CID 160769699

IUPAC6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone
SMILESBrc1cccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)n1.CC(=O)c1ccncc1.O=Cc1cccc(Br)n1
InChIInChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-3-1-2-17(25-20)16-12-18(14-4-8-22-9-5-14)24-19(13-16)15-6-10-23-11-7-15;1-6(9)7-2-4-8-5-3-7;7-6-3-1-2-5(4-9)8-6/h1-13H;2-5H,1H3;1-4H
InChIKeyRZDMPECUHZXCBW-UHFFFAOYSA-N
MW696.40 g/mol
LogP7.97
Rot. Bonds5

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

6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone (PubChem CID 160769699) 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-4-ylpyridine;1-pyridin-4-ylethanone.

Molecular Properties

Compound Name6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone
PubChem CID160769699
Molecular FormulaC33H24Br2N6O2
Molecular Weight696.40 g/mol
Exact Mass694.03
IUPAC Name6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone
SMILESBrc1cccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)n1.CC(=O)c1ccncc1.O=Cc1cccc(Br)n1
InChIInChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-3-1-2-17(25-20)16-12-18(14-4-8-22-9-5-14)24-19(13-16)15-6-10-23-11-7-15;1-6(9)7-2-4-8-5-3-7;7-6-3-1-2-5(4-9)8-6/h1-13H;2-5H,1H3;1-4H
InChIKeyRZDMPECUHZXCBW-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-Bromo-5-fluoro-2-pyridinyl)-2-[4-(3,5-dimethylcyclohexen-1-yl)-3-pyridinyl]ethanone
CID 149204259
2-Bromo-5-fluoropyridine-4-carbaldehyde;5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbaldehyde;[6-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 161426927
5-bromo-4-methylpyridine-2-carbaldehyde;(S)-N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;(S)-N-[(5-bromo-4-methyl-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide;methane;(S)-2-methyl-N-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]propane-2-sulfinamide;(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethanamine
CID 162124053
5,5'-([2,2'-Bipyridine]-5,5'-diylbis(ethane-2,1-diyl))dipicolinaldehyde
CID 53389305
[3,3':6',2'':5'',3'''-Quaterpyridine]-6,6'''-dicarbaldehyde
CID 90656963
1-[6-(6-Acetyl-2,3-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]ethanone
CID 91171818
Disilver;bis([6-(pyridine-4-carbonyl)-2-pyridinyl]-pyridin-4-ylmethanone);dihexafluorophosphate
CID 139144391
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);ditetrafluoroborate
CID 139179365
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);diperchlorate
CID 139179366
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);dinitrate
CID 139179367
Disilver;bis(pyridin-2-yl(pyridin-4-yl)methanone);dichlorate
CID 139179368
2-(4-Methyl-2-pyridinyl)pyridine-4-carbaldehyde;bis(2-pyridin-2-ylpyridine);ruthenium
CID 139258422

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone?
The IUPAC name of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone (CID 160769699) is 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone.
What is the SMILES notation for 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone?
The canonical SMILES for 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone is Brc1cccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)n1.CC(=O)c1ccncc1.O=Cc1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-ylethanone?
The InChIKey is RZDMPECUHZXCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4.C7H7NO.C6H4BrNO/c21-20-3-1-2-17(25-20)16-12-18(14-4-8-22-9-5-14)24-19(13-16)15-6-10-23-11-7-15;1-6(9)7-2-4-8-5-3-7;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-4-ylpyridine;1-pyridin-4-ylethanone?
6-bromopyridine-2-carbaldehyde;4-(6-bromo-2-pyridinyl)-2,6-dipyridin-4-ylpyridine;1-pyridin-4-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-4-ylpyridine;1-pyridin-4-ylethanone is sourced from PubChem (CID 160769699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).