6-chloro-9-ethylcarbazole-3-carbaldehyde

C15H12ClNO — CID 14222134

IUPAC6-chloro-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccc(Cl)cc2c2cc(C=O)ccc21
InChIInChI=1S/C15H12ClNO/c1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17/h3-9H,2H2,1H3
InChIKeyNREGAMUYOIJUQQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.28
Rot. Bonds2

About 6-chloro-9-ethylcarbazole-3-carbaldehyde

6-chloro-9-ethylcarbazole-3-carbaldehyde (PubChem CID 14222134) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-9-ethylcarbazole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-9-ethylcarbazole-3-carbaldehyde
PubChem CID14222134
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name6-chloro-9-ethylcarbazole-3-carbaldehyde
SMILESCCn1c2ccc(Cl)cc2c2cc(C=O)ccc21
InChIInChI=1S/C15H12ClNO/c1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17/h3-9H,2H2,1H3
InChIKeyNREGAMUYOIJUQQ-UHFFFAOYSA-N
XLogP4.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.28
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 6-chloro-9-ethylcarbazole-3-carbaldehyde?
The IUPAC name of 6-chloro-9-ethylcarbazole-3-carbaldehyde (CID 14222134) is 6-chloro-9-ethylcarbazole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-9-ethylcarbazole-3-carbaldehyde?
The canonical SMILES for 6-chloro-9-ethylcarbazole-3-carbaldehyde is CCn1c2ccc(Cl)cc2c2cc(C=O)ccc21.
What is the InChIKey of 6-chloro-9-ethylcarbazole-3-carbaldehyde?
The InChIKey is NREGAMUYOIJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17/h3-9H,2H2,1H3.
What are the key properties of 6-chloro-9-ethylcarbazole-3-carbaldehyde?
6-chloro-9-ethylcarbazole-3-carbaldehyde has a molecular weight of 257.72 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethylcarbazole-3-carbaldehyde is sourced from PubChem (CID 14222134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).