2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile

C11H13N3S — CID 97165172

IUPAC2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC[C@H]2CCCN2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m1/s1
InChIKeyFGKTXNBAKOAOOB-SNVBAGLBSA-N
MW219.31 g/mol
LogP1.80
Rot. Bonds3

About 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile

2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile (PubChem CID 97165172) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
PubChem CID97165172
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC[C@H]2CCCN2)c1
InChIInChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m1/s1
InChIKeyFGKTXNBAKOAOOB-SNVBAGLBSA-N
XLogP1.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
CID 71646106
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
2-[(3S)-piperidin-3-yl]sulfanylpyridine-4-carbonitrile
CID 97165168
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
CID 97166051
tert-butyl 3-[(4-cyano-2-pyridinyl)sulfanylmethyl]piperidine-1-carboxylate
CID 71302710

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile (CID 97165172) is 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile is N#Cc1ccnc(SC[C@H]2CCCN2)c1.
What is the InChIKey of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile?
The InChIKey is FGKTXNBAKOAOOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3S/c12-7-9-3-5-14-11(6-9)15-8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2/t10-/m1/s1.
What are the key properties of 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile?
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile is sourced from PubChem (CID 97165172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).