6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde

C15H15BrN2O — CID 80636625

IUPAC6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-11-7-13(10-19)8-17-15(11)18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyXKVKATXWYIJAGG-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.60
Rot. Bonds4

About 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde

6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde (PubChem CID 80636625) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
PubChem CID80636625
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-11-7-13(10-19)8-17-15(11)18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9H2,1-2H3
InChIKeyXKVKATXWYIJAGG-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-fluorophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80638492
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde
CID 80636648
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
CID 80638223
5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
6-bromo-5-methylpyridine-3-carbaldehyde
CID 44754884
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
CID 80631209
3-[(4-bromophenyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 133447307
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde (CID 80636625) is 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde?
The InChIKey is XKVKATXWYIJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-7-13(10-19)8-17-15(11)18(2)9-12-3-5-14(16)6-4-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde?
6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde has a molecular weight of 319.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80636625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).