2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile

C8H8N2O3 — CID 171869735

IUPAC2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
SMILESN#CC(O)C(O)c1ncccc1O
InChIInChI=1S/C8H8N2O3/c9-4-6(12)8(13)7-5(11)2-1-3-10-7/h1-3,6,8,11-13H
InChIKeyJWZJKZWIVSWEIX-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.29
Rot. Bonds2

About 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile

2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile (PubChem CID 171869735) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
PubChem CID171869735
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile
SMILESN#CC(O)C(O)c1ncccc1O
InChIInChI=1S/C8H8N2O3/c9-4-6(12)8(13)7-5(11)2-1-3-10-7/h1-3,6,8,11-13H
InChIKeyJWZJKZWIVSWEIX-UHFFFAOYSA-N
XLogP-0.29
TPSA97.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyano-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 171870325
3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2,3-dihydroxy-3-(2-hydroxyphenyl)propanenitrile
CID 171869667
2-(1-bromoethyl)pyridin-3-ol
CID 174581885
4-bromo-1-(3-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171891513
3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanamide
CID 171898678
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869715
3-(2-bromo-3-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871540
2-benzhydrylpyridin-3-ol
CID 125491889
methyl 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanoate
CID 171895095
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile?
The IUPAC name of 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile (CID 171869735) is 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile.
What is the SMILES notation for 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile?
The canonical SMILES for 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile is N#CC(O)C(O)c1ncccc1O.
What is the InChIKey of 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile?
The InChIKey is JWZJKZWIVSWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-4-6(12)8(13)7-5(11)2-1-3-10-7/h1-3,6,8,11-13H.
What are the key properties of 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile?
2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile has a molecular weight of 180.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(3-hydroxy-2-pyridinyl)propanenitrile is sourced from PubChem (CID 171869735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).