9-iodo-1-methylcarbazole

C13H10IN — CID 134316149

IUPAC9-iodo-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(I)c12
InChIInChI=1S/C13H10IN/c1-9-5-4-7-11-10-6-2-3-8-12(10)15(14)13(9)11/h2-8H,1H3
InChIKeyYDIZUMUNECZXDH-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.30
Rot. Bonds

About 9-iodo-1-methylcarbazole

9-iodo-1-methylcarbazole (PubChem CID 134316149) has the molecular formula C13H10IN and a molecular weight of 307.13 g/mol. Its IUPAC name is 9-iodo-1-methylcarbazole.

Molecular Properties

Compound Name9-iodo-1-methylcarbazole
PubChem CID134316149
Molecular FormulaC13H10IN
Molecular Weight307.13 g/mol
Exact Mass306.99
IUPAC Name9-iodo-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(I)c12
InChIInChI=1S/C13H10IN/c1-9-5-4-7-11-10-6-2-3-8-12(10)15(14)13(9)11/h2-8H,1H3
InChIKeyYDIZUMUNECZXDH-UHFFFAOYSA-N
XLogP4.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.30
H-Bond Donors ≤ 50
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 9-iodo-1-methylcarbazole?
The IUPAC name of 9-iodo-1-methylcarbazole (CID 134316149) is 9-iodo-1-methylcarbazole.
What is the SMILES notation for 9-iodo-1-methylcarbazole?
The canonical SMILES for 9-iodo-1-methylcarbazole is Cc1cccc2c3ccccc3n(I)c12.
What is the InChIKey of 9-iodo-1-methylcarbazole?
The InChIKey is YDIZUMUNECZXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN/c1-9-5-4-7-11-10-6-2-3-8-12(10)15(14)13(9)11/h2-8H,1H3.
What are the key properties of 9-iodo-1-methylcarbazole?
9-iodo-1-methylcarbazole has a molecular weight of 307.13 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-1-methylcarbazole is sourced from PubChem (CID 134316149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).