6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile

C13H10N2OS — CID 47364170

IUPAC6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
SMILESCOc1ccccc1Sc1ccc(C#N)cn1
InChIInChI=1S/C13H10N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,1H3
InChIKeyAKMCILRRWHNDQP-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.11
Rot. Bonds3

About 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile

6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 47364170) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
PubChem CID47364170
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile
SMILESCOc1ccccc1Sc1ccc(C#N)cn1
InChIInChI=1S/C13H10N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,1H3
InChIKeyAKMCILRRWHNDQP-UHFFFAOYSA-N
XLogP3.11
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-bromophenyl)sulfanylpyridine-3-carbonitrile
CID 43236174
[6-(2-methoxyphenyl)sulfanyl-3-pyridinyl]methanamine
CID 61289983
3-fluoro-4-(2-methoxyphenyl)sulfanylbenzonitrile
CID 61296343
6-(2-methoxyphenyl)sulfanylpyridine-3-carboxylic acid
CID 55136319
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
4-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
(5-cyano-2-pyridinyl) thiohypochlorite
CID 143667938
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
6-(3-hydroxyphenyl)sulfanylpyridine-3-carbonitrile
CID 104576652
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile (CID 47364170) is 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile is COc1ccccc1Sc1ccc(C#N)cn1.
What is the InChIKey of 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is AKMCILRRWHNDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-16-11-4-2-3-5-12(11)17-13-7-6-10(8-14)9-15-13/h2-7,9H,1H3.
What are the key properties of 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile?
6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 47364170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).