2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite

C15H13IN2O3S — CID 143848854

IUPAC2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite
SMILESO=CNc1ccc2c(c1)[nH]c1cc(OCCOSI)ccc12
InChIInChI=1S/C15H13IN2O3S/c16-22-21-6-5-20-11-2-4-13-12-3-1-10(17-9-19)7-14(12)18-15(13)8-11/h1-4,7-9,18H,5-6H2,(H,17,19)
InChIKeyYTEARURMZXDMBZ-UHFFFAOYSA-N
MW428.25 g/mol
LogP4.28
Rot. Bonds7

About 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite

2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite (PubChem CID 143848854) has the molecular formula C15H13IN2O3S and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite.

Molecular Properties

Compound Name2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite
PubChem CID143848854
Molecular FormulaC15H13IN2O3S
Molecular Weight428.25 g/mol
Exact Mass427.97
IUPAC Name2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite
SMILESO=CNc1ccc2c(c1)[nH]c1cc(OCCOSI)ccc12
InChIInChI=1S/C15H13IN2O3S/c16-22-21-6-5-20-11-2-4-13-12-3-1-10(17-9-19)7-14(12)18-15(13)8-11/h1-4,7-9,18H,5-6H2,(H,17,19)
InChIKeyYTEARURMZXDMBZ-UHFFFAOYSA-N
XLogP4.28
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-ethoxy-9-oxo-10H-acridin-3-yl)formamide
CID 168651298
N-(7-propan-2-yl-9H-carbazol-2-yl)formamide
CID 89159415
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
N-[8-[2-(diethylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-3-yl]formamide
CID 118670165
N-(8-formamido-9H-carbazol-2-yl)formamide
CID 174862208
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide
CID 58160188
2-[2-[2-(9-methylcarbazol-2-yl)oxyethoxy]ethoxy]ethoxy thiohypoiodite
CID 166959341
N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide
CID 88525773
trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
CID 57439447
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
3,6-bis[3-(dipropylamino)propoxy]-10H-acridin-9-one
CID 57439687

Frequently Asked Questions

What is the IUPAC name of 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite?
The IUPAC name of 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite (CID 143848854) is 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite.
What is the SMILES notation for 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite?
The canonical SMILES for 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite is O=CNc1ccc2c(c1)[nH]c1cc(OCCOSI)ccc12.
What is the InChIKey of 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite?
The InChIKey is YTEARURMZXDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3S/c16-22-21-6-5-20-11-2-4-13-12-3-1-10(17-9-19)7-14(12)18-15(13)8-11/h1-4,7-9,18H,5-6H2,(H,17,19).
What are the key properties of 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite?
2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite has a molecular weight of 428.25 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-formamido-9H-carbazol-2-yl)oxy]ethoxy thiohypoiodite is sourced from PubChem (CID 143848854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).