2-amino-1-furo[2,3-c]pyridin-5-ylethanone

C9H8N2O2 — CID 84767089

IUPAC2-amino-1-furo[2,3-c]pyridin-5-ylethanone
SMILESNCC(=O)c1cc2ccoc2cn1
InChIInChI=1S/C9H8N2O2/c10-4-8(12)7-3-6-1-2-13-9(6)5-11-7/h1-3,5H,4,10H2
InChIKeyMBSHETAIYJKPPQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.97
Rot. Bonds2

About 2-amino-1-furo[2,3-c]pyridin-5-ylethanone

2-amino-1-furo[2,3-c]pyridin-5-ylethanone (PubChem CID 84767089) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-amino-1-furo[2,3-c]pyridin-5-ylethanone.

Molecular Properties

Compound Name2-amino-1-furo[2,3-c]pyridin-5-ylethanone
PubChem CID84767089
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-amino-1-furo[2,3-c]pyridin-5-ylethanone
SMILESNCC(=O)c1cc2ccoc2cn1
InChIInChI=1S/C9H8N2O2/c10-4-8(12)7-3-6-1-2-13-9(6)5-11-7/h1-3,5H,4,10H2
InChIKeyMBSHETAIYJKPPQ-UHFFFAOYSA-N
XLogP0.97
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-furo[2,3-c]pyridin-5-yl-2-oxoacetamide
CID 171482687
2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
CID 160643718
furo[2,3-c]pyridin-5-ylmethyl acetate
CID 22047292
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
[2-[(2S)-7-azabicyclo[2.2.1]heptan-2-yl]cyclobutyl]-furo[2,3-c]pyridin-5-ylmethanone
CID 163666667
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone
CID 118908276
N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
CID 146035732
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728
N-decyl-1-azabicyclo[2.2.2]octan-3-amine;furo[2,3-c]pyridine-5-carboxylic acid
CID 159227536
5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine
CID 84775727

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-furo[2,3-c]pyridin-5-ylethanone?
The IUPAC name of 2-amino-1-furo[2,3-c]pyridin-5-ylethanone (CID 84767089) is 2-amino-1-furo[2,3-c]pyridin-5-ylethanone.
What is the SMILES notation for 2-amino-1-furo[2,3-c]pyridin-5-ylethanone?
The canonical SMILES for 2-amino-1-furo[2,3-c]pyridin-5-ylethanone is NCC(=O)c1cc2ccoc2cn1.
What is the InChIKey of 2-amino-1-furo[2,3-c]pyridin-5-ylethanone?
The InChIKey is MBSHETAIYJKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-4-8(12)7-3-6-1-2-13-9(6)5-11-7/h1-3,5H,4,10H2.
What are the key properties of 2-amino-1-furo[2,3-c]pyridin-5-ylethanone?
2-amino-1-furo[2,3-c]pyridin-5-ylethanone has a molecular weight of 176.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-furo[2,3-c]pyridin-5-ylethanone is sourced from PubChem (CID 84767089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).