3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile

C8H9N3O3 — CID 171869919

IUPAC3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H9N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,10H2,(H,11,14)
InChIKeyPZJZCFIKMRYMBG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.13
Rot. Bonds2

About 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile

3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile (PubChem CID 171869919) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
PubChem CID171869919
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H9N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,10H2,(H,11,14)
InChIKeyPZJZCFIKMRYMBG-UHFFFAOYSA-N
XLogP-1.13
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[(1R)-1,2-dihydroxyethyl]-1H-pyridin-2-one
CID 133627715
3-amino-4-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 133639356
3-amino-4-(1,2-dihydroxyethyl)-1H-pyridin-2-one
CID 133667176
3-amino-4-[(1R,2R)-1,2,3-trihydroxypropyl]-1H-pyridin-2-one
CID 133681908
3-amino-5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
CID 170817551
3-amino-5-(1,2-dihydroxy-3-sulfanylpropyl)-1H-pyridin-2-one
CID 170819565
3-amino-5-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 170825711
3-amino-5-(3-amino-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 170827738
3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyridin-2-one
CID 171857644
3-amino-5-(3-bromo-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171859671
3-amino-5-(3-chloro-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171861724
2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propanenitrile
CID 171869741

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile (CID 171869919) is 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The InChIKey is PZJZCFIKMRYMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-2-6(12)7(13)4-1-5(10)8(14)11-3-4/h1,3,6-7,12-13H,10H2,(H,11,14).
What are the key properties of 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile has a molecular weight of 195.18 g/mol, XLogP of -1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171869919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).