3-pyridin-4-ylpentanedial

C10H11NO2 — CID 21411773

IUPAC3-pyridin-4-ylpentanedial
SMILESO=CCC(CC=O)c1ccncc1
InChIInChI=1S/C10H11NO2/c12-7-3-10(4-8-13)9-1-5-11-6-2-9/h1-2,5-8,10H,3-4H2
InChIKeyIETDEXFXEXCVJI-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.34
Rot. Bonds5

About 3-pyridin-4-ylpentanedial

3-pyridin-4-ylpentanedial (PubChem CID 21411773) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-pyridin-4-ylpentanedial.

Molecular Properties

Compound Name3-pyridin-4-ylpentanedial
PubChem CID21411773
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-pyridin-4-ylpentanedial
SMILESO=CCC(CC=O)c1ccncc1
InChIInChI=1S/C10H11NO2/c12-7-3-10(4-8-13)9-1-5-11-6-2-9/h1-2,5-8,10H,3-4H2
InChIKeyIETDEXFXEXCVJI-UHFFFAOYSA-N
XLogP1.34
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.34
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

4-[(2Z,7Z)-nona-2,7-dien-5-yl]pyridine
CID 6000004
3-pyrazol-1-yl-3-pyridin-4-ylpropanal
CID 90875899
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoethyl]amino]-3-pyridin-4-ylbutanal
CID 19367016
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730
(E,3R)-3-phenylhept-5-enal
CID 102328928
3-(4-chlorophenyl)hex-5-enal
CID 132510864
2-pyridin-4-ylacetaldehyde
CID 18688704
(3R)-3-phenylpentanal
CID 12598589
4-[1-(4-chlorophenyl)prop-2-enyl]pyridine;3-(4-chlorophenyl)-3-pyridin-4-ylpropanal
CID 158057101
2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide
CID 53406533
4-(1-chlorobutan-2-yl)pyridine
CID 141093425
4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine
CID 159182787

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpentanedial?
The IUPAC name of 3-pyridin-4-ylpentanedial (CID 21411773) is 3-pyridin-4-ylpentanedial.
What is the SMILES notation for 3-pyridin-4-ylpentanedial?
The canonical SMILES for 3-pyridin-4-ylpentanedial is O=CCC(CC=O)c1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpentanedial?
The InChIKey is IETDEXFXEXCVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-3-10(4-8-13)9-1-5-11-6-2-9/h1-2,5-8,10H,3-4H2.
What are the key properties of 3-pyridin-4-ylpentanedial?
3-pyridin-4-ylpentanedial has a molecular weight of 177.20 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpentanedial is sourced from PubChem (CID 21411773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).