3-bromo-9-ethylcarbazole

C14H12BrN — CID 621080

IUPAC3-bromo-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C14H12BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2H2,1H3
InChIKeyPPHYYUDMDADQPF-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.58
Rot. Bonds1

About 3-bromo-9-ethylcarbazole

3-bromo-9-ethylcarbazole (PubChem CID 621080) has the molecular formula C14H12BrN and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-bromo-9-ethylcarbazole.

Molecular Properties

Compound Name3-bromo-9-ethylcarbazole
PubChem CID621080
Molecular FormulaC14H12BrN
Molecular Weight274.16 g/mol
Exact Mass273.02
IUPAC Name3-bromo-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C14H12BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2H2,1H3
InChIKeyPPHYYUDMDADQPF-UHFFFAOYSA-N
XLogP4.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-ethylcarbazole?
The IUPAC name of 3-bromo-9-ethylcarbazole (CID 621080) is 3-bromo-9-ethylcarbazole.
What is the SMILES notation for 3-bromo-9-ethylcarbazole?
The canonical SMILES for 3-bromo-9-ethylcarbazole is CCn1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of 3-bromo-9-ethylcarbazole?
The InChIKey is PPHYYUDMDADQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-9-ethylcarbazole?
3-bromo-9-ethylcarbazole has a molecular weight of 274.16 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-ethylcarbazole is sourced from PubChem (CID 621080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).