3-bromo-9-methylcarbazole

C13H10BrN — CID 2729031

IUPAC3-bromo-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C13H10BrN/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1H3
InChIKeyHQENVGAILUHBND-UHFFFAOYSA-N
MW260.13 g/mol
LogP4.09
Rot. Bonds

About 3-bromo-9-methylcarbazole

3-bromo-9-methylcarbazole (PubChem CID 2729031) has the molecular formula C13H10BrN and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-bromo-9-methylcarbazole.

Molecular Properties

Compound Name3-bromo-9-methylcarbazole
PubChem CID2729031
Molecular FormulaC13H10BrN
Molecular Weight260.13 g/mol
Exact Mass259.00
IUPAC Name3-bromo-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C13H10BrN/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1H3
InChIKeyHQENVGAILUHBND-UHFFFAOYSA-N
XLogP4.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-methylcarbazole?
The IUPAC name of 3-bromo-9-methylcarbazole (CID 2729031) is 3-bromo-9-methylcarbazole.
What is the SMILES notation for 3-bromo-9-methylcarbazole?
The canonical SMILES for 3-bromo-9-methylcarbazole is Cn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9-methylcarbazole?
The InChIKey is HQENVGAILUHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1H3.
What are the key properties of 3-bromo-9-methylcarbazole?
3-bromo-9-methylcarbazole has a molecular weight of 260.13 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-methylcarbazole is sourced from PubChem (CID 2729031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).