4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile

C10H11N3O — CID 104892898

IUPAC4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C10H11N3O/c11-6-8-5-9(1-3-12-8)13-4-2-10(14)7-13/h1,3,5,10,14H,2,4,7H2/t10-/m0/s1
InChIKeyYOHSGPJGGNODCA-JTQLQIEISA-N
MW189.22 g/mol
LogP0.52
Rot. Bonds1

About 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile

4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 104892898) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID104892898
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CC[C@H](O)C2)ccn1
InChIInChI=1S/C10H11N3O/c11-6-8-5-9(1-3-12-8)13-4-2-10(14)7-13/h1,3,5,10,14H,2,4,7H2/t10-/m0/s1
InChIKeyYOHSGPJGGNODCA-JTQLQIEISA-N
XLogP0.52
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 128901667
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile (CID 104892898) is 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CC[C@H](O)C2)ccn1.
What is the InChIKey of 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is YOHSGPJGGNODCA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-8-5-9(1-3-12-8)13-4-2-10(14)7-13/h1,3,5,10,14H,2,4,7H2/t10-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile?
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 104892898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).