1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone

C10H10N2O2 — CID 123135094

IUPAC1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESCOc1cnc2c(C(C)=O)c[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-6(13)8-5-11-9-3-7(14-2)4-12-10(8)9/h3-5,11H,1-2H3
InChIKeyLBUUDWIXXKKXAK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.77
Rot. Bonds2

About 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone

1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (PubChem CID 123135094) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
PubChem CID123135094
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESCOc1cnc2c(C(C)=O)c[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-6(13)8-5-11-9-3-7(14-2)4-12-10(8)9/h3-5,11H,1-2H3
InChIKeyLBUUDWIXXKKXAK-UHFFFAOYSA-N
XLogP1.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
6-methoxy-1H-benzimidazole-4-carbonyl chloride
CID 130936731
1-(3-methoxyquinolin-5-yl)ethanone
CID 67065394
4-chloro-6-methoxy-1H-indole-3-carboxylic acid
CID 118644703
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
(2,6-difluoro-3-methylphenyl)-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384890
(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
CID 177125861
hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
CID 174559146
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (CID 123135094) is 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is COc1cnc2c(C(C)=O)c[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The InChIKey is LBUUDWIXXKKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)8-5-11-9-3-7(14-2)4-12-10(8)9/h3-5,11H,1-2H3.
What are the key properties of 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone has a molecular weight of 190.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 123135094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).