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

C9H9N3O — CID 82411246

IUPAC2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESNCC(=O)c1c[nH]c2cccnc12
InChIInChI=1S/C9H9N3O/c10-4-8(13)6-5-12-7-2-1-3-11-9(6)7/h1-3,5,12H,4,10H2
InChIKeyCVVRVUANUVJGLF-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.70
Rot. Bonds2

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

2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (PubChem CID 82411246) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
PubChem CID82411246
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESNCC(=O)c1c[nH]c2cccnc12
InChIInChI=1S/C9H9N3O/c10-4-8(13)6-5-12-7-2-1-3-11-9(6)7/h1-3,5,12H,4,10H2
InChIKeyCVVRVUANUVJGLF-UHFFFAOYSA-N
XLogP0.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (CID 82411246) is 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is NCC(=O)c1c[nH]c2cccnc12.
What is the InChIKey of 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The InChIKey is CVVRVUANUVJGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-4-8(13)6-5-12-7-2-1-3-11-9(6)7/h1-3,5,12H,4,10H2.
What are the key properties of 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 82411246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).