4-acetylpyridine-2-carbaldehyde;ethane

C10H13NO2 — CID 142622199

IUPAC4-acetylpyridine-2-carbaldehyde;ethane
SMILESCC.CC(=O)c1ccnc(C=O)c1
InChIInChI=1S/C8H7NO2.C2H6/c1-6(11)7-2-3-9-8(4-7)5-10;1-2/h2-5H,1H3;1-2H3
InChIKeyHRHOZHFYIDYISC-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.12
Rot. Bonds2

About 4-acetylpyridine-2-carbaldehyde;ethane

4-acetylpyridine-2-carbaldehyde;ethane (PubChem CID 142622199) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-acetylpyridine-2-carbaldehyde;ethane.

Molecular Properties

Compound Name4-acetylpyridine-2-carbaldehyde;ethane
PubChem CID142622199
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-acetylpyridine-2-carbaldehyde;ethane
SMILESCC.CC(=O)c1ccnc(C=O)c1
InChIInChI=1S/C8H7NO2.C2H6/c1-6(11)7-2-3-9-8(4-7)5-10;1-2/h2-5H,1H3;1-2H3
InChIKeyHRHOZHFYIDYISC-UHFFFAOYSA-N
XLogP2.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.12
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

1-(2-amino-4-pyridinyl)ethanone
CID 13145258
4-(2-formyl-4-pyridinyl)pyridine-2-carbaldehyde
CID 22625289
hexyl 2-formylpyridine-4-carboxylate
CID 54083120
6-acetylpyrimidine-4-carbaldehyde
CID 142891374
fluoro 4-acetylpyridine-2-carboxylate
CID 143534060
4-methylpyridine-2-carbaldehyde;1-(4-methyl-2-pyridinyl)ethanol;1-(4-methyl-2-pyridinyl)ethanone
CID 162159181
3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
CID 84772622
1-(1-chloroisoquinolin-6-yl)ethanone
CID 119018146
5-acetylpyrazine-2-carbaldehyde;ethane
CID 142622200
2,5-diacetylbenzaldehyde
CID 143109306
butane;1-pyridin-4-ylethanone
CID 174655632
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056

Frequently Asked Questions

What is the IUPAC name of 4-acetylpyridine-2-carbaldehyde;ethane?
The IUPAC name of 4-acetylpyridine-2-carbaldehyde;ethane (CID 142622199) is 4-acetylpyridine-2-carbaldehyde;ethane.
What is the SMILES notation for 4-acetylpyridine-2-carbaldehyde;ethane?
The canonical SMILES for 4-acetylpyridine-2-carbaldehyde;ethane is CC.CC(=O)c1ccnc(C=O)c1.
What is the InChIKey of 4-acetylpyridine-2-carbaldehyde;ethane?
The InChIKey is HRHOZHFYIDYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.C2H6/c1-6(11)7-2-3-9-8(4-7)5-10;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 4-acetylpyridine-2-carbaldehyde;ethane?
4-acetylpyridine-2-carbaldehyde;ethane has a molecular weight of 179.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpyridine-2-carbaldehyde;ethane is sourced from PubChem (CID 142622199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).