6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile

C10H9N3O2 — CID 171900634

IUPAC6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
SMILESN#CCC(O)C(O)c1ccc(C#N)cn1
InChIInChI=1S/C10H9N3O2/c11-4-3-9(14)10(15)8-2-1-7(5-12)6-13-8/h1-2,6,9-10,14-15H,3H2
InChIKeyUUYYOPKJNORCMF-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.26
Rot. Bonds3

About 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile

6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile (PubChem CID 171900634) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
PubChem CID171900634
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
SMILESN#CCC(O)C(O)c1ccc(C#N)cn1
InChIInChI=1S/C10H9N3O2/c11-4-3-9(14)10(15)8-2-1-7(5-12)6-13-8/h1-2,6,9-10,14-15H,3H2
InChIKeyUUYYOPKJNORCMF-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

6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
3,4-dihydroxy-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanenitrile
CID 171902005
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
4-(5-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900675
3-(3-cyano-1,2-dihydroxypropyl)-4-methoxybenzonitrile
CID 171901456
4-(6-amino-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900419
6-(2-amino-1-hydroxyethyl)pyridine-3-carbonitrile;6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 158463192
3,4-dihydroxy-4-(1H-1,2,4-triazol-5-yl)butanenitrile
CID 171900355

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile (CID 171900634) is 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile is N#CCC(O)C(O)c1ccc(C#N)cn1.
What is the InChIKey of 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
The InChIKey is UUYYOPKJNORCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-4-3-9(14)10(15)8-2-1-7(5-12)6-13-8/h1-2,6,9-10,14-15H,3H2.
What are the key properties of 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile?
6-(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 6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171900634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).