2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite

C15H13ClINO — CID 70822041

IUPAC2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite
SMILESCC(COI)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H13ClINO/c1-9(8-19-17)10-2-4-12-13-7-11(16)3-5-14(13)18-15(12)6-10/h2-7,9,18H,8H2,1H3
InChIKeySENYWOHOVAQQQC-UHFFFAOYSA-N
MW385.63 g/mol
LogP5.44
Rot. Bonds3

About 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite

2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite (PubChem CID 70822041) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite.

Molecular Properties

Compound Name2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite
PubChem CID70822041
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC Name2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite
SMILESCC(COI)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H13ClINO/c1-9(8-19-17)10-2-4-12-13-7-11(16)3-5-14(13)18-15(12)6-10/h2-7,9,18H,8H2,1H3
InChIKeySENYWOHOVAQQQC-UHFFFAOYSA-N
XLogP5.44
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite?
The IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite (CID 70822041) is 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite.
What is the SMILES notation for 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite?
The canonical SMILES for 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite is CC(COI)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite?
The InChIKey is SENYWOHOVAQQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-9(8-19-17)10-2-4-12-13-7-11(16)3-5-14(13)18-15(12)6-10/h2-7,9,18H,8H2,1H3.
What are the key properties of 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite?
2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite has a molecular weight of 385.63 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-9H-carbazol-2-yl)propyl hypoiodite is sourced from PubChem (CID 70822041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).