2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile

C14H9N3S2 — CID 2817024

IUPAC2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)nc1N
InChIInChI=1S/C14H9N3S2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
InChIKeyNMMNXFUCSNOZLW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.99
Rot. Bonds2

About 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile

2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile (PubChem CID 2817024) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile
PubChem CID2817024
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC Name2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2cccs2)nc1N
InChIInChI=1S/C14H9N3S2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17)
InChIKeyNMMNXFUCSNOZLW-UHFFFAOYSA-N
XLogP3.99
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile (CID 2817024) is 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1N.
What is the InChIKey of 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is NMMNXFUCSNOZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c15-8-10-9(12-3-1-5-18-12)7-11(17-14(10)16)13-4-2-6-19-13/h1-7H,(H2,16,17).
What are the key properties of 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile?
2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dithiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2817024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).