6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole

C13H10Cl2N2O — CID 21362727

IUPAC6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole
SMILESCCOc1c(Cl)cc2c([nH]c3cnccc32)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-2-18-13-9(14)5-8-7-3-4-16-6-10(7)17-12(8)11(13)15/h3-6,17H,2H2,1H3
InChIKeyJPXUQHLWVREHIF-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.42
Rot. Bonds2

About 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole

6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole (PubChem CID 21362727) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole
PubChem CID21362727
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole
SMILESCCOc1c(Cl)cc2c([nH]c3cnccc32)c1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-2-18-13-9(14)5-8-7-3-4-16-6-10(7)17-12(8)11(13)15/h3-6,17H,2H2,1H3
InChIKeyJPXUQHLWVREHIF-UHFFFAOYSA-N
XLogP4.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole (CID 21362727) is 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole is CCOc1c(Cl)cc2c([nH]c3cnccc32)c1Cl.
What is the InChIKey of 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is JPXUQHLWVREHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-2-18-13-9(14)5-8-7-3-4-16-6-10(7)17-12(8)11(13)15/h3-6,17H,2H2,1H3.
What are the key properties of 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole?
6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 281.14 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-ethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 21362727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).