2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite

C12H13IN2OS — CID 163255588

IUPAC2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
SMILESCc1cc(C#CSI)nc(N2CCOCC2)c1
InChIInChI=1S/C12H13IN2OS/c1-10-8-11(2-7-17-13)14-12(9-10)15-3-5-16-6-4-15/h8-9H,3-6H2,1H3
InChIKeyCUEZATJXNCGYJR-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.62
Rot. Bonds1

About 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite

2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite (PubChem CID 163255588) has the molecular formula C12H13IN2OS and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
PubChem CID163255588
Molecular FormulaC12H13IN2OS
Molecular Weight360.22 g/mol
Exact Mass359.98
IUPAC Name2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
SMILESCc1cc(C#CSI)nc(N2CCOCC2)c1
InChIInChI=1S/C12H13IN2OS/c1-10-8-11(2-7-17-13)14-12(9-10)15-3-5-16-6-4-15/h8-9H,3-6H2,1H3
InChIKeyCUEZATJXNCGYJR-UHFFFAOYSA-N
XLogP2.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
N,4-dimethyl-6-morpholin-4-ylpyridin-2-amine;ethane
CID 177153014
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[4-methyl-6-(1-methylazetidin-3-yl)oxy-2-pyridinyl]morpholine
CID 155160970
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
2-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122625310
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
(2S)-3,3,3-trifluoro-2-[(4-methyl-6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-ol
CID 166768642

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The IUPAC name of 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite (CID 163255588) is 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite is Cc1cc(C#CSI)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The InChIKey is CUEZATJXNCGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2OS/c1-10-8-11(2-7-17-13)14-12(9-10)15-3-5-16-6-4-15/h8-9H,3-6H2,1H3.
What are the key properties of 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite has a molecular weight of 360.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite is sourced from PubChem (CID 163255588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).