ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde

C11H17NO2 — CID 143458093

IUPACethane;2-ethoxy-4-methylpyridine-3-carbaldehyde
SMILESCC.CCOc1nccc(C)c1C=O
InChIInChI=1S/C9H11NO2.C2H6/c1-3-12-9-8(6-11)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyRBOTWBZYHHYHJM-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.63
Rot. Bonds3

About ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde

ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde (PubChem CID 143458093) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;2-ethoxy-4-methylpyridine-3-carbaldehyde
PubChem CID143458093
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;2-ethoxy-4-methylpyridine-3-carbaldehyde
SMILESCC.CCOc1nccc(C)c1C=O
InChIInChI=1S/C9H11NO2.C2H6/c1-3-12-9-8(6-11)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyRBOTWBZYHHYHJM-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.63
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

3-ethenyl-2-ethoxy-4-methylpyridine
CID 74889642
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
3-ethoxy-6-methylphthalaldehyde
CID 171004125
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
4-tert-butyl-2-ethoxy-3-methylpyridine
CID 58837611
1,4-diethoxynaphthalene-2,3-dicarbaldehyde
CID 88868655
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
3-ethoxy-4-ethyl-2-methylpyridine
CID 91260297
3-chloro-2-ethoxy-5,6-dimethylbenzaldehyde
CID 171085182
5-chloro-2-ethoxypyridine-3-carbaldehyde
CID 86084027
2,6-dimethylbenzaldehyde
CID 159545887

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde?
The IUPAC name of ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde (CID 143458093) is ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde is CC.CCOc1nccc(C)c1C=O.
What is the InChIKey of ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde?
The InChIKey is RBOTWBZYHHYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-3-12-9-8(6-11)7(2)4-5-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde?
ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde has a molecular weight of 195.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 143458093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).