3-(1-pyridin-3-ylethyl)benzaldehyde

C14H13NO — CID 174510753

IUPAC3-(1-pyridin-3-ylethyl)benzaldehyde
SMILESCC(c1cccnc1)c1cccc(C=O)c1
InChIInChI=1S/C14H13NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2-11H,1H3
InChIKeyARBKOFOMAGGDIO-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.05
Rot. Bonds3

About 3-(1-pyridin-3-ylethyl)benzaldehyde

3-(1-pyridin-3-ylethyl)benzaldehyde (PubChem CID 174510753) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylethyl)benzaldehyde.

Molecular Properties

Compound Name3-(1-pyridin-3-ylethyl)benzaldehyde
PubChem CID174510753
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(1-pyridin-3-ylethyl)benzaldehyde
SMILESCC(c1cccnc1)c1cccc(C=O)c1
InChIInChI=1S/C14H13NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2-11H,1H3
InChIKeyARBKOFOMAGGDIO-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-pyridin-3-ylethoxy)benzaldehyde
CID 82037066
2-chloro-4-(1-pyridin-3-ylethyl)benzaldehyde
CID 88993812
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-(1-fluoroethyl)benzaldehyde
CID 83856182
3-(1-fluoro-2-methylpropyl)benzaldehyde
CID 83856184
pyridine-3-carbaldehyde;hydrate;hydrochloride
CID 87987230
hydrazine;pyridine-3-carbaldehyde
CID 174684947
1,1-diethoxyethane;ethene;3-(2-pyridin-3-ylethyl)benzaldehyde
CID 88650579
3-(4-oxobutan-2-yl)benzaldehyde
CID 174605673
3-pyridin-3-ylbutanal
CID 12727117
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
[(1S)-1-pyridin-3-ylethyl] 4-formylbenzoate
CID 95346451

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylethyl)benzaldehyde?
The IUPAC name of 3-(1-pyridin-3-ylethyl)benzaldehyde (CID 174510753) is 3-(1-pyridin-3-ylethyl)benzaldehyde.
What is the SMILES notation for 3-(1-pyridin-3-ylethyl)benzaldehyde?
The canonical SMILES for 3-(1-pyridin-3-ylethyl)benzaldehyde is CC(c1cccnc1)c1cccc(C=O)c1.
What is the InChIKey of 3-(1-pyridin-3-ylethyl)benzaldehyde?
The InChIKey is ARBKOFOMAGGDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2-11H,1H3.
What are the key properties of 3-(1-pyridin-3-ylethyl)benzaldehyde?
3-(1-pyridin-3-ylethyl)benzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylethyl)benzaldehyde is sourced from PubChem (CID 174510753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).