3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile

C8H7FN2O2 — CID 171869715

IUPAC3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C8H7FN2O2/c9-7-3-5(1-2-11-7)8(13)6(12)4-10/h1-3,6,8,12-13H
InChIKeyQWBKZVMDLQSFBI-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.14
Rot. Bonds2

About 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile

3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile (PubChem CID 171869715) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
PubChem CID171869715
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C8H7FN2O2/c9-7-3-5(1-2-11-7)8(13)6(12)4-10/h1-3,6,8,12-13H
InChIKeyQWBKZVMDLQSFBI-UHFFFAOYSA-N
XLogP0.14
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
3-(5,6-difluoro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869978
3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
CID 55293179
(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
CID 20743450
3-(6-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869933
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
(1R)-1-(2-fluoro-4-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130741004
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile (CID 171869715) is 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1ccnc(F)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The InChIKey is QWBKZVMDLQSFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-7-3-5(1-2-11-7)8(13)6(12)4-10/h1-3,6,8,12-13H.
What are the key properties of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile?
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile has a molecular weight of 182.15 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171869715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).