7-bromo-9-ethylcarbazole-2-carbaldehyde

C15H12BrNO — CID 20504294

IUPAC7-bromo-9-ethylcarbazole-2-carbaldehyde
SMILESCCn1c2cc(Br)ccc2c2ccc(C=O)cc21
InChIInChI=1S/C15H12BrNO/c1-2-17-14-7-10(9-18)3-5-12(14)13-6-4-11(16)8-15(13)17/h3-9H,2H2,1H3
InChIKeyNTUNVEOCZDFFFQ-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.39
Rot. Bonds2

About 7-bromo-9-ethylcarbazole-2-carbaldehyde

7-bromo-9-ethylcarbazole-2-carbaldehyde (PubChem CID 20504294) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 7-bromo-9-ethylcarbazole-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-9-ethylcarbazole-2-carbaldehyde
PubChem CID20504294
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name7-bromo-9-ethylcarbazole-2-carbaldehyde
SMILESCCn1c2cc(Br)ccc2c2ccc(C=O)cc21
InChIInChI=1S/C15H12BrNO/c1-2-17-14-7-10(9-18)3-5-12(14)13-6-4-11(16)8-15(13)17/h3-9H,2H2,1H3
InChIKeyNTUNVEOCZDFFFQ-UHFFFAOYSA-N
XLogP4.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-ethylcarbazole-2-carbaldehyde?
The IUPAC name of 7-bromo-9-ethylcarbazole-2-carbaldehyde (CID 20504294) is 7-bromo-9-ethylcarbazole-2-carbaldehyde.
What is the SMILES notation for 7-bromo-9-ethylcarbazole-2-carbaldehyde?
The canonical SMILES for 7-bromo-9-ethylcarbazole-2-carbaldehyde is CCn1c2cc(Br)ccc2c2ccc(C=O)cc21.
What is the InChIKey of 7-bromo-9-ethylcarbazole-2-carbaldehyde?
The InChIKey is NTUNVEOCZDFFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c1-2-17-14-7-10(9-18)3-5-12(14)13-6-4-11(16)8-15(13)17/h3-9H,2H2,1H3.
What are the key properties of 7-bromo-9-ethylcarbazole-2-carbaldehyde?
7-bromo-9-ethylcarbazole-2-carbaldehyde has a molecular weight of 302.17 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-ethylcarbazole-2-carbaldehyde is sourced from PubChem (CID 20504294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).