1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C11H12N2O2 — CID 24801189

IUPAC1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCCOc1ccnc2[nH]cc(C(C)=O)c12
InChIInChI=1S/C11H12N2O2/c1-3-15-9-4-5-12-11-10(9)8(6-13-11)7(2)14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyABERHZYRGVPCBN-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 24801189) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID24801189
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCCOc1ccnc2[nH]cc(C(C)=O)c12
InChIInChI=1S/C11H12N2O2/c1-3-15-9-4-5-12-11-10(9)8(6-13-11)7(2)14/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyABERHZYRGVPCBN-UHFFFAOYSA-N
XLogP2.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135068
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 115512659
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
3-(2,3-dihydro-1H-indol-6-yl)-4-ethoxy-1H-pyrrolo[2,3-b]pyridine
CID 146401486
N,N-diethyl-4-[hydroxy-(4-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 135061646
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
N-[2,4-difluoro-3-(4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
CID 70214849
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 24801189) is 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CCOc1ccnc2[nH]cc(C(C)=O)c12.
What is the InChIKey of 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is ABERHZYRGVPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-9-4-5-12-11-10(9)8(6-13-11)7(2)14/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 204.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 24801189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).