5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile

C10H9N3O2 — CID 171900618

IUPAC5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
SMILESN#CCC(O)C(O)c1cncc(C#N)c1
InChIInChI=1S/C10H9N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1H2
InChIKeyUWWJXCGOHINYOG-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.26
Rot. Bonds3

About 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile

5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile (PubChem CID 171900618) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
PubChem CID171900618
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
SMILESN#CCC(O)C(O)c1cncc(C#N)c1
InChIInChI=1S/C10H9N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1H2
InChIKeyUWWJXCGOHINYOG-UHFFFAOYSA-N
XLogP0.26
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
CID 171901473
3-(3-cyano-1,2-dihydroxypropyl)-5-(trifluoromethyl)benzonitrile
CID 171901873
5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
CID 155247391
4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900710
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile (CID 171900618) is 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile is N#CCC(O)C(O)c1cncc(C#N)c1.
What is the InChIKey of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The InChIKey is UWWJXCGOHINYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-2-1-9(14)10(15)8-3-7(4-12)5-13-6-8/h3,5-6,9-10,14-15H,1H2.
What are the key properties of 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171900618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).