methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde

C11H14N2O2 — CID 170754494

IUPACmethoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCCOC.O=Cc1cc2ncccc2[nH]1
InChIInChI=1S/C8H6N2O.C3H8O/c11-5-6-4-8-7(10-6)2-1-3-9-8;1-3-4-2/h1-5,10H;3H2,1-2H3
InChIKeyLISNYEZTQWAFQC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.03
Rot. Bonds2

About methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde

methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde (PubChem CID 170754494) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
PubChem CID170754494
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
SMILESCCOC.O=Cc1cc2ncccc2[nH]1
InChIInChI=1S/C8H6N2O.C3H8O/c11-5-6-4-8-7(10-6)2-1-3-9-8;1-3-4-2/h1-5,10H;3H2,1-2H3
InChIKeyLISNYEZTQWAFQC-UHFFFAOYSA-N
XLogP2.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxyethane;5-methyl-1H-pyrrole-2-carbaldehyde
CID 144798147
3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde;methoxyethane
CID 177187823
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
5-formyl-1H-pyrrole-2-carbonitrile;methoxyethane
CID 143458702
3-methyl-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176580356
6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105443050
2-benzyl-4H-pyrrolo[3,2-c]pyrazole-5-carbaldehyde;methyl hypofluorite
CID 154681865
4-amino-1H-pyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 55212084
1H-pyrrolo[3,2-b]pyridine-2-sulfinic acid
CID 172829313
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
2-[(3-ethylcyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
CID 170236919
2-(difluoromethoxy)-1H-pyrrolo[3,2-b]pyridine
CID 118825995

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The IUPAC name of methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde (CID 170754494) is methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde.
What is the SMILES notation for methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The canonical SMILES for methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde is CCOC.O=Cc1cc2ncccc2[nH]1.
What is the InChIKey of methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
The InChIKey is LISNYEZTQWAFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C3H8O/c11-5-6-4-8-7(10-6)2-1-3-9-8;1-3-4-2/h1-5,10H;3H2,1-2H3.
What are the key properties of methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde?
methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 170754494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).