2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone

C28H20Br4N4O2 — CID 161142602

IUPAC2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone
SMILESBrc1ccc(-c2ccc3cc(Br)cnc3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1ncc(Br)cc1C=O
InChIInChI=1S/C14H8Br2N2.C8H7BrO.C6H5BrN2O/c15-11-4-1-9(2-5-11)13-6-3-10-7-12(16)8-17-14(10)18-13;1-6(10)7-2-4-8(9)5-3-7;7-5-1-4(3-10)6(8)9-2-5/h1-8H;2-5H,1H3;1-3H,(H2,8,9)
InChIKeyUNQIPDVMHKPVAG-UHFFFAOYSA-N
MW764.11 g/mol
LogP8.71
Rot. Bonds3

About 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone

2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone (PubChem CID 161142602) has the molecular formula C28H20Br4N4O2 and a molecular weight of 764.11 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone
PubChem CID161142602
Molecular FormulaC28H20Br4N4O2
Molecular Weight764.11 g/mol
Exact Mass759.83
IUPAC Name2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone
SMILESBrc1ccc(-c2ccc3cc(Br)cnc3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1ncc(Br)cc1C=O
InChIInChI=1S/C14H8Br2N2.C8H7BrO.C6H5BrN2O/c15-11-4-1-9(2-5-11)13-6-3-10-7-12(16)8-17-14(10)18-13;1-6(10)7-2-4-8(9)5-3-7;7-5-1-4(3-10)6(8)9-2-5/h1-8H;2-5H,1H3;1-3H,(H2,8,9)
InChIKeyUNQIPDVMHKPVAG-UHFFFAOYSA-N
XLogP8.71
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.11
LogP ≤ 58.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-((4-Bromo-2-fluorophenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 49660665
(4-((4-Bromophenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(4-methylpiperidin-1-yl)methanone
CID 49660696
[4-(4-bromo-2-fluorophenylamino)-7-methyl-1,8-diaza-3-naphthyl][(S)-3-methyl-1-piperidyl]methanone
CID 52313331
3-[[4-[4-[(4-Bromophenyl)(ethoxyimino)methyl]-1-piperidinyl]-4-methyl-1-piperidinyl]carbonyl]-2-(trifluoromethyl)-1,8-naphthyridine
CID 86596277
7-(Trifluoromethyl)-1,8-naphthyridine-3-carbaldehyde;[7-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanamine
CID 87802255
[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
CID 87836254
[4-[4-[(4-Bromophenyl)-(ethoxyamino)methylidene]piperidin-1-yl]-4-methylpiperidin-1-yl]-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]methanone
CID 91574654
7-amino-6-bromo-N-[(1S,2S)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156830584
7-amino-6-bromo-N-[(1R,2R)-2-methoxycyclohexyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156830722
7-amino-6-bromo-N-[(2S)-3,3,3-trifluoro-2-methoxypropyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156830882
7-amino-6-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 156831054
2-Aminopyridine-3-carbaldehyde;5,5-difluoro-9-(1,8-naphthyridin-2-yl)nonan-2-one;5,5-difluoroundecane-2,10-dione;ethanol
CID 158282640

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone?
The IUPAC name of 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone (CID 161142602) is 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone is Brc1ccc(-c2ccc3cc(Br)cnc3n2)cc1.CC(=O)c1ccc(Br)cc1.Nc1ncc(Br)cc1C=O.
What is the InChIKey of 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone?
The InChIKey is UNQIPDVMHKPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2.C8H7BrO.C6H5BrN2O/c15-11-4-1-9(2-5-11)13-6-3-10-7-12(16)8-17-14(10)18-13;1-6(10)7-2-4-8(9)5-3-7;7-5-1-4(3-10)6(8)9-2-5/h1-8H;2-5H,1H3;1-3H,(H2,8,9).
What are the key properties of 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone?
2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone has a molecular weight of 764.11 g/mol, XLogP of 8.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromopyridine-3-carbaldehyde;6-bromo-2-(4-bromophenyl)-1,8-naphthyridine;1-(4-bromophenyl)ethanone is sourced from PubChem (CID 161142602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).