4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde

C16H14N2O2 — CID 10659387

IUPAC4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCn2ccc3cccnc32)cc1
InChIInChI=1S/C16H14N2O2/c19-12-13-3-5-15(6-4-13)20-11-10-18-9-7-14-2-1-8-17-16(14)18/h1-9,12H,10-11H2
InChIKeyWWEFFIYYHOTTBZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds5

About 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde

4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde (PubChem CID 10659387) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde
PubChem CID10659387
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCn2ccc3cccnc32)cc1
InChIInChI=1S/C16H14N2O2/c19-12-13-3-5-15(6-4-13)20-11-10-18-9-7-14-2-1-8-17-16(14)18/h1-9,12H,10-11H2
InChIKeyWWEFFIYYHOTTBZ-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
4-(Imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde
CID 739244
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methoxy)benzoic acid
CID 44568190
4-((2-cyano-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methoxy)benzamide
CID 44568193
4-(2-Furyl)-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine
CID 52943875
N,N-dimethyl-4-[[4-morpholin-4-yl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,5-triazin-2-yl]oxy]benzamide
CID 122658882
1-(4-Ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2084536
N-benzyl-4-hexoxy-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 44536079

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde?
The IUPAC name of 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde (CID 10659387) is 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde is O=Cc1ccc(OCCn2ccc3cccnc32)cc1.
What is the InChIKey of 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde?
The InChIKey is WWEFFIYYHOTTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-12-13-3-5-15(6-4-13)20-11-10-18-9-7-14-2-1-8-17-16(14)18/h1-9,12H,10-11H2.
What are the key properties of 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde?
4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolo[2,3-b]pyridin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 10659387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).