2-pyridin-2-ylpropanal

C8H9NO — CID 11126308

IUPAC2-pyridin-2-ylpropanal
SMILESCC(C=O)c1ccccn1
InChIInChI=1S/C8H9NO/c1-7(6-10)8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyJRVRZALNDCUKBN-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.38
Rot. Bonds2

About 2-pyridin-2-ylpropanal

2-pyridin-2-ylpropanal (PubChem CID 11126308) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-pyridin-2-ylpropanal.

Molecular Properties

Compound Name2-pyridin-2-ylpropanal
PubChem CID11126308
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-pyridin-2-ylpropanal
SMILESCC(C=O)c1ccccn1
InChIInChI=1S/C8H9NO/c1-7(6-10)8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyJRVRZALNDCUKBN-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-pyridin-2-ylpropanal?
The IUPAC name of 2-pyridin-2-ylpropanal (CID 11126308) is 2-pyridin-2-ylpropanal.
What is the SMILES notation for 2-pyridin-2-ylpropanal?
The canonical SMILES for 2-pyridin-2-ylpropanal is CC(C=O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylpropanal?
The InChIKey is JRVRZALNDCUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-7(6-10)8-4-2-3-5-9-8/h2-7H,1H3.
What are the key properties of 2-pyridin-2-ylpropanal?
2-pyridin-2-ylpropanal has a molecular weight of 135.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpropanal is sourced from PubChem (CID 11126308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).