3-(1-pyridin-3-ylethoxy)benzaldehyde

C14H13NO2 — CID 82037066

IUPAC3-(1-pyridin-3-ylethoxy)benzaldehyde
SMILESCC(Oc1cccc(C=O)c1)c1cccnc1
InChIInChI=1S/C14H13NO2/c1-11(13-5-3-7-15-9-13)17-14-6-2-4-12(8-14)10-16/h2-11H,1H3
InChIKeyNOIYNDNCXTWFJC-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.03
Rot. Bonds4

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

3-(1-pyridin-3-ylethoxy)benzaldehyde (PubChem CID 82037066) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(1-pyridin-3-ylethoxy)benzaldehyde
PubChem CID82037066
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(1-pyridin-3-ylethoxy)benzaldehyde
SMILESCC(Oc1cccc(C=O)c1)c1cccnc1
InChIInChI=1S/C14H13NO2/c1-11(13-5-3-7-15-9-13)17-14-6-2-4-12(8-14)10-16/h2-11H,1H3
InChIKeyNOIYNDNCXTWFJC-UHFFFAOYSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.03
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

3-(1-pyridin-3-ylethyl)benzaldehyde
CID 174510753
3-(1-pyridin-3-ylethoxy)aniline
CID 82036967
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
[(1S)-1-pyridin-3-ylethyl] 4-formylbenzoate
CID 95346451
3-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzaldehyde
CID 117051891
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
3-[(1S)-1-propan-2-yloxyethyl]pyridine
CID 134380003
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzaldehyde
CID 102722458
4-propan-2-yloxy-3-pyridin-3-ylbenzaldehyde
CID 172651055
(3-formylphenyl) (2S)-2-chloropropanoate
CID 10998344

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylethoxy)benzaldehyde?
The IUPAC name of 3-(1-pyridin-3-ylethoxy)benzaldehyde (CID 82037066) is 3-(1-pyridin-3-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-(1-pyridin-3-ylethoxy)benzaldehyde?
The canonical SMILES for 3-(1-pyridin-3-ylethoxy)benzaldehyde is CC(Oc1cccc(C=O)c1)c1cccnc1.
What is the InChIKey of 3-(1-pyridin-3-ylethoxy)benzaldehyde?
The InChIKey is NOIYNDNCXTWFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(13-5-3-7-15-9-13)17-14-6-2-4-12(8-14)10-16/h2-11H,1H3.
What are the key properties of 3-(1-pyridin-3-ylethoxy)benzaldehyde?
3-(1-pyridin-3-ylethoxy)benzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylethoxy)benzaldehyde is sourced from PubChem (CID 82037066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).