4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde

C15H13Br2NO2 — CID 23657653

IUPAC4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)c(=O)c(CCCBr)c1Br
InChIInChI=1S/C15H13Br2NO2/c16-8-4-7-13-14(17)11(10-19)9-18(15(13)20)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeyFGEKVMKWQKFDAH-UHFFFAOYSA-N
MW399.08 g/mol
LogP3.74
Rot. Bonds5

About 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde

4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde (PubChem CID 23657653) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
PubChem CID23657653
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)c(=O)c(CCCBr)c1Br
InChIInChI=1S/C15H13Br2NO2/c16-8-4-7-13-14(17)11(10-19)9-18(15(13)20)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeyFGEKVMKWQKFDAH-UHFFFAOYSA-N
XLogP3.74
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-4-chloro-1-(4-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 101460283
4-chloro-5-(3-chloropropyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 23655215
4-chloro-5-(2-chloroethyl)-1-(2-methylphenyl)-6-oxopyridine-3-carbaldehyde
CID 102085295
2-(7-bromoheptyl)benzaldehyde
CID 15617526
2-(2-bromo-3-formylphenyl)acetic acid
CID 175440752
9-bromo-10-(4-bromobutyl)phenanthrene
CID 10453092
4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde
CID 101460288
2-(aminomethyl)-3-bromobenzaldehyde
CID 123452116
5-benzyl-6-oxo-1,3-diphenylpyrimidin-3-ium-4-olate
CID 2783615
1-(4-bromobutyl)-3-phenylquinazoline-2,4-dione
CID 22449673
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 53436945
2-bromo-4-(4-bromobutyl)benzaldehyde
CID 18374470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde (CID 23657653) is 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde is O=Cc1cn(-c2ccccc2)c(=O)c(CCCBr)c1Br.
What is the InChIKey of 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde?
The InChIKey is FGEKVMKWQKFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c16-8-4-7-13-14(17)11(10-19)9-18(15(13)20)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde?
4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde has a molecular weight of 399.08 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-bromopropyl)-6-oxo-1-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 23657653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).