bromomethane;9H-carbazole

C13H12BrN — CID 67594562

IUPACbromomethane;9H-carbazole
SMILESCBr.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.CH3Br/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8,13H;1H3
InChIKeySQUJQFLKGRGUDK-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.33
Rot. Bonds

About bromomethane;9H-carbazole

bromomethane;9H-carbazole (PubChem CID 67594562) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is bromomethane;9H-carbazole.

Molecular Properties

Compound Namebromomethane;9H-carbazole
PubChem CID67594562
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Namebromomethane;9H-carbazole
SMILESCBr.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.CH3Br/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8,13H;1H3
InChIKeySQUJQFLKGRGUDK-UHFFFAOYSA-N
XLogP4.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethane;9H-carbazole?
The IUPAC name of bromomethane;9H-carbazole (CID 67594562) is bromomethane;9H-carbazole.
What is the SMILES notation for bromomethane;9H-carbazole?
The canonical SMILES for bromomethane;9H-carbazole is CBr.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of bromomethane;9H-carbazole?
The InChIKey is SQUJQFLKGRGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.CH3Br/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2/h1-8,13H;1H3.
What are the key properties of bromomethane;9H-carbazole?
bromomethane;9H-carbazole has a molecular weight of 262.15 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;9H-carbazole is sourced from PubChem (CID 67594562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).