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

C9H7FN2O3 — CID 171871356

IUPAC3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccnc(F)c1C=O
InChIInChI=1S/C9H7FN2O3/c10-9-6(4-13)5(1-2-12-9)8(15)7(14)3-11/h1-2,4,7-8,14-15H
InChIKeyULERVHBAXBYTBN-UHFFFAOYSA-N
MW210.16 g/mol
LogP-0.05
Rot. Bonds3

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

3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile (PubChem CID 171871356) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile.

Molecular Properties

Compound Name3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile
PubChem CID171871356
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile
SMILESN#CC(O)C(O)c1ccnc(F)c1C=O
InChIInChI=1S/C9H7FN2O3/c10-9-6(4-13)5(1-2-12-9)8(15)7(14)3-11/h1-2,4,7-8,14-15H
InChIKeyULERVHBAXBYTBN-UHFFFAOYSA-N
XLogP-0.05
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869707
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869715
2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile
CID 130140290
3-(2-bromo-3-formylphenyl)-2,3-dihydroxypropanenitrile
CID 171871457
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroxypropanenitrile
CID 171871361
2-(2-cyano-1,2-dihydroxyethyl)benzenesulfonyl fluoride
CID 171870545
2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 45083842
3-(5-chloro-2-fluoro-4-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171870077
3-(6-formyl-2-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171870013
3-(2-formyl-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870516
3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropanenitrile
CID 171869760

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The IUPAC name of 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile (CID 171871356) is 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile.
What is the SMILES notation for 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The canonical SMILES for 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile is N#CC(O)C(O)c1ccnc(F)c1C=O.
What is the InChIKey of 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile?
The InChIKey is ULERVHBAXBYTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-9-6(4-13)5(1-2-12-9)8(15)7(14)3-11/h1-2,4,7-8,14-15H.
What are the key properties of 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile?
3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile has a molecular weight of 210.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile is sourced from PubChem (CID 171871356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).