2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde

C17H19NO2 — CID 175824669

IUPAC2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde
SMILESCCCCOc1c(C=O)cc(C)cc1-c1ccccn1
InChIInChI=1S/C17H19NO2/c1-3-4-9-20-17-14(12-19)10-13(2)11-15(17)16-7-5-6-8-18-16/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyWLNAAAJCOPGUNL-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.05
Rot. Bonds6

About 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde

2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde (PubChem CID 175824669) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde
PubChem CID175824669
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde
SMILESCCCCOc1c(C=O)cc(C)cc1-c1ccccn1
InChIInChI=1S/C17H19NO2/c1-3-4-9-20-17-14(12-19)10-13(2)11-15(17)16-7-5-6-8-18-16/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyWLNAAAJCOPGUNL-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

2-butoxy-5-iodo-3-methylbenzaldehyde
CID 100581502
2-(3-methylanthracen-1-yl)pyridine
CID 169060480
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
2-butoxy-4-methylbenzaldehyde
CID 162455333
3-butoxypyridine-2-carbaldehyde
CID 86631140
2-(3-butylnaphthalen-2-yl)pyridine;3-butyl-2-pyridin-2-ylnaphthalene-1-carbaldehyde
CID 175044459
3-bromo-2-butoxybenzaldehyde
CID 61390829
2-pentoxypyridine-3-carbaldehyde
CID 11622489
3-methyl-4-pyridin-2-ylbenzaldehyde
CID 24899762
6-butoxyquinoline-4-carbaldehyde
CID 178020180
5-methyl-2-[8-(4-methylphenyl)octoxy]benzene-1,3-dicarbaldehyde
CID 19930286

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde?
The IUPAC name of 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde (CID 175824669) is 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde is CCCCOc1c(C=O)cc(C)cc1-c1ccccn1.
What is the InChIKey of 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde?
The InChIKey is WLNAAAJCOPGUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-4-9-20-17-14(12-19)10-13(2)11-15(17)16-7-5-6-8-18-16/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde?
2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde 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 2-butoxy-5-methyl-3-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 175824669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).