1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde

C17H16N2O2 — CID 59805785

IUPAC1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
SMILESCn1cc(C=O)c2c(OCCc3ccccn3)cccc21
InChIInChI=1S/C17H16N2O2/c1-19-11-13(12-20)17-15(19)6-4-7-16(17)21-10-8-14-5-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3
InChIKeyNBKMYJNPNNLNJC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds5

About 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde

1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde (PubChem CID 59805785) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
PubChem CID59805785
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
SMILESCn1cc(C=O)c2c(OCCc3ccccn3)cccc21
InChIInChI=1S/C17H16N2O2/c1-19-11-13(12-20)17-15(19)6-4-7-16(17)21-10-8-14-5-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3
InChIKeyNBKMYJNPNNLNJC-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
CID 71536274
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
4-amino-1-methylpyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 82411213
1-[2-fluoro-6-(2-pyridin-2-ylethoxy)phenyl]ethanone
CID 29006281
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
4-(pyridin-2-ylmethoxy)pyridine-3-carbaldehyde
CID 132587651
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
CID 156682067
CID 156682067
3-(2-pyridin-2-ylethoxy)propanal
CID 63039480

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde?
The IUPAC name of 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde (CID 59805785) is 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde?
The canonical SMILES for 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde is Cn1cc(C=O)c2c(OCCc3ccccn3)cccc21.
What is the InChIKey of 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde?
The InChIKey is NBKMYJNPNNLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-11-13(12-20)17-15(19)6-4-7-16(17)21-10-8-14-5-2-3-9-18-14/h2-7,9,11-12H,8,10H2,1H3.
What are the key properties of 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde?
1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde is sourced from PubChem (CID 59805785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).