5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile

C10H6N4OS — CID 115489944

IUPAC5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15)
InChIKeyIHURRPOZEOYCCQ-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.19
Rot. Bonds2

About 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile

5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile (PubChem CID 115489944) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
PubChem CID115489944
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Sc2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15)
InChIKeyIHURRPOZEOYCCQ-UHFFFAOYSA-N
XLogP1.19
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile (CID 115489944) is 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile is N#Cc1ccc(Sc2nccc(=O)[nH]2)cn1.
What is the InChIKey of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
The InChIKey is IHURRPOZEOYCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c11-5-7-1-2-8(6-13-7)16-10-12-4-3-9(15)14-10/h1-4,6H,(H,12,14,15).
What are the key properties of 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile?
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile has a molecular weight of 230.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115489944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).