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

C8H7ClN2O3 — CID 171869996

IUPAC3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C8H7ClN2O3/c9-4-1-5(8(14)11-3-4)7(13)6(12)2-10/h1,3,6-7,12-13H,(H,11,14)
InChIKeyHAZNWMHAUDMLFQ-UHFFFAOYSA-N
MW214.61 g/mol
LogP-0.05
Rot. Bonds2

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

3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile (PubChem CID 171869996) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
PubChem CID171869996
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC Name3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C8H7ClN2O3/c9-4-1-5(8(14)11-3-4)7(13)6(12)2-10/h1,3,6-7,12-13H,(H,11,14)
InChIKeyHAZNWMHAUDMLFQ-UHFFFAOYSA-N
XLogP-0.05
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171869831
3-(2-amino-5-chlorophenyl)-2,3-dihydroxypropanenitrile
CID 171869930
5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131029233
2,3-dihydroxy-3-(6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171871292
2,3-dihydroxy-3-(4-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869739
3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
CID 130649424
3-(4-chloro-2-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870123
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroxypropanenitrile
CID 171871361
benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate
CID 171888191
3-(5-chloro-2-fluoro-4-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171870077

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile (CID 171869996) is 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
The InChIKey is HAZNWMHAUDMLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-4-1-5(8(14)11-3-4)7(13)6(12)2-10/h1,3,6-7,12-13H,(H,11,14).
What are the key properties of 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile?
3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile has a molecular weight of 214.61 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-oxo-1H-pyridin-3-yl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171869996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).