3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

C12H15N3O — CID 115883813

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(CCO)C1
InChIInChI=1S/C12H15N3O/c13-7-11-1-4-14-8-12(11)15-5-2-10(9-15)3-6-16/h1,4,8,10,16H,2-3,5-6,9H2
InChIKeySJWCMUZXDMBCAQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.16
Rot. Bonds3

About 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 115883813) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID115883813
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(CCO)C1
InChIInChI=1S/C12H15N3O/c13-7-11-1-4-14-8-12(11)15-5-2-10(9-15)3-6-16/h1,4,8,10,16H,2-3,5-6,9H2
InChIKeySJWCMUZXDMBCAQ-UHFFFAOYSA-N
XLogP1.16
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(hydroxymethyl)-4-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799569
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
CID 115559870
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
CID 129349589
4-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonitrile
CID 67060660
2-[1-(5-aminoisoquinolin-6-yl)pyrrolidin-3-yl]ethanol
CID 106948479
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 171992777
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 115883813) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccncc1N1CCC(CCO)C1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is SJWCMUZXDMBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-11-1-4-14-8-12(11)15-5-2-10(9-15)3-6-16/h1,4,8,10,16H,2-3,5-6,9H2.
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 115883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).