6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde

C17H19NO2 — CID 82452921

IUPAC6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
SMILESCCCCOc1ccccc1-c1ccc(C=O)c(C)n1
InChIInChI=1S/C17H19NO2/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-19)13(2)18-16/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIMMJWYGFXOYZKJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.05
Rot. Bonds6

About 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde

6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde (PubChem CID 82452921) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
PubChem CID82452921
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
SMILESCCCCOc1ccccc1-c1ccc(C=O)c(C)n1
InChIInChI=1S/C17H19NO2/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-19)13(2)18-16/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIMMJWYGFXOYZKJ-UHFFFAOYSA-N
XLogP4.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82452931
2-[6-(2-butoxyphenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452933
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
2-butoxy-4-methylbenzaldehyde
CID 162455333
4-methyl-2-(2-octoxyphenyl)pyridine
CID 158540184
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-[6-(2-butoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688554
1,3-dibutoxy-2-methylbenzene
CID 14475066
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
3-butoxypyridine-2-carbaldehyde
CID 86631140
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304

Frequently Asked Questions

What is the IUPAC name of 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde (CID 82452921) is 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde is CCCCOc1ccccc1-c1ccc(C=O)c(C)n1.
What is the InChIKey of 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde?
The InChIKey is IMMJWYGFXOYZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-4-11-20-17-8-6-5-7-15(17)16-10-9-14(12-19)13(2)18-16/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde?
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde has a molecular weight of 269.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 82452921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).