5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile

C13H11N3S — CID 61243425

IUPAC5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cccc(Sc2ncc(N)cc2C#N)c1
InChIInChI=1S/C13H11N3S/c1-9-3-2-4-12(5-9)17-13-10(7-14)6-11(15)8-16-13/h2-6,8H,15H2,1H3
InChIKeySIZXPFZATDQAJL-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.00
Rot. Bonds2

About 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile

5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile (PubChem CID 61243425) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile
PubChem CID61243425
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cccc(Sc2ncc(N)cc2C#N)c1
InChIInChI=1S/C13H11N3S/c1-9-3-2-4-12(5-9)17-13-10(7-14)6-11(15)8-16-13/h2-6,8H,15H2,1H3
InChIKeySIZXPFZATDQAJL-UHFFFAOYSA-N
XLogP3.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile (CID 61243425) is 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile is Cc1cccc(Sc2ncc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is SIZXPFZATDQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-3-2-4-12(5-9)17-13-10(7-14)6-11(15)8-16-13/h2-6,8H,15H2,1H3.
What are the key properties of 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile?
5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 61243425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).