2-ethylpyridine-4-carbaldehyde

C8H9NO — CID 12026125

IUPAC2-ethylpyridine-4-carbaldehyde
SMILESCCc1cc(C=O)ccn1
InChIInChI=1S/C8H9NO/c1-2-8-5-7(6-10)3-4-9-8/h3-6H,2H2,1H3
InChIKeyXCEBDCHWDTZQFO-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.46
Rot. Bonds2

About 2-ethylpyridine-4-carbaldehyde

2-ethylpyridine-4-carbaldehyde (PubChem CID 12026125) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-ethylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethylpyridine-4-carbaldehyde
PubChem CID12026125
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-ethylpyridine-4-carbaldehyde
SMILESCCc1cc(C=O)ccn1
InChIInChI=1S/C8H9NO/c1-2-8-5-7(6-10)3-4-9-8/h3-6H,2H2,1H3
InChIKeyXCEBDCHWDTZQFO-UHFFFAOYSA-N
XLogP1.46
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyridine-4-carbaldehyde?
The IUPAC name of 2-ethylpyridine-4-carbaldehyde (CID 12026125) is 2-ethylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-ethylpyridine-4-carbaldehyde?
The canonical SMILES for 2-ethylpyridine-4-carbaldehyde is CCc1cc(C=O)ccn1.
What is the InChIKey of 2-ethylpyridine-4-carbaldehyde?
The InChIKey is XCEBDCHWDTZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-2-8-5-7(6-10)3-4-9-8/h3-6H,2H2,1H3.
What are the key properties of 2-ethylpyridine-4-carbaldehyde?
2-ethylpyridine-4-carbaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine-4-carbaldehyde is sourced from PubChem (CID 12026125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).