1-ethyl-2H-pyridine-2-carbaldehyde

C8H11NO — CID 141114392

IUPAC1-ethyl-2H-pyridine-2-carbaldehyde
SMILESCCN1C=CC=CC1C=O
InChIInChI=1S/C8H11NO/c1-2-9-6-4-3-5-8(9)7-10/h3-8H,2H2,1H3
InChIKeyASCCDLCDPHASBA-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds2

About 1-ethyl-2H-pyridine-2-carbaldehyde

1-ethyl-2H-pyridine-2-carbaldehyde (PubChem CID 141114392) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2H-pyridine-2-carbaldehyde
PubChem CID141114392
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-ethyl-2H-pyridine-2-carbaldehyde
SMILESCCN1C=CC=CC1C=O
InChIInChI=1S/C8H11NO/c1-2-9-6-4-3-5-8(9)7-10/h3-8H,2H2,1H3
InChIKeyASCCDLCDPHASBA-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
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 1-ethyl-2H-pyridine-2-carbaldehyde?
The IUPAC name of 1-ethyl-2H-pyridine-2-carbaldehyde (CID 141114392) is 1-ethyl-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 1-ethyl-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 1-ethyl-2H-pyridine-2-carbaldehyde is CCN1C=CC=CC1C=O.
What is the InChIKey of 1-ethyl-2H-pyridine-2-carbaldehyde?
The InChIKey is ASCCDLCDPHASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-9-6-4-3-5-8(9)7-10/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-2H-pyridine-2-carbaldehyde?
1-ethyl-2H-pyridine-2-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 141114392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).