2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile

C11H12N2OS — CID 103846679

IUPAC2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
SMILESCC1OCCC1Sc1ncccc1C#N
InChIInChI=1S/C11H12N2OS/c1-8-10(4-6-14-8)15-11-9(7-12)3-2-5-13-11/h2-3,5,8,10H,4,6H2,1H3
InChIKeyXVQXOQPYHZJNRH-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile

2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile (PubChem CID 103846679) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
PubChem CID103846679
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
SMILESCC1OCCC1Sc1ncccc1C#N
InChIInChI=1S/C11H12N2OS/c1-8-10(4-6-14-8)15-11-9(7-12)3-2-5-13-11/h2-3,5,8,10H,4,6H2,1H3
InChIKeyXVQXOQPYHZJNRH-UHFFFAOYSA-N
XLogP2.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
CID 62721346
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
2-(2-methyloxolan-3-yl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107749225
2-(2-methyloxolan-3-yl)sulfanyl-6-methylsulfanylbenzonitrile
CID 107749233
5-(2-methyloxolan-3-yl)sulfanyl-2-(trifluoromethyl)benzonitrile
CID 107749260
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
CID 103847343
4-[(1R)-1-hydroxyethyl]-3-(2-methyloxolan-3-yl)sulfanylbenzonitrile
CID 107761950
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonitrile
CID 71651554
2-cyclopropylpyridine-3-carbonitrile
CID 57440906

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile (CID 103846679) is 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile is CC1OCCC1Sc1ncccc1C#N.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile?
The InChIKey is XVQXOQPYHZJNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-10(4-6-14-8)15-11-9(7-12)3-2-5-13-11/h2-3,5,8,10H,4,6H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile?
2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile has a molecular weight of 220.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 103846679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).