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

C11H6Cl2N2 — CID 11075446

IUPAC6,8-dichloro-9H-pyrido[3,4-b]indole
SMILESClc1cc(Cl)c2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H6Cl2N2/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H
InChIKeyFMHUTFHLSOWTSV-UHFFFAOYSA-N
MW237.09 g/mol
LogP4.02
Rot. Bonds

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

6,8-dichloro-9H-pyrido[3,4-b]indole (PubChem CID 11075446) has the molecular formula C11H6Cl2N2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 6,8-dichloro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6,8-dichloro-9H-pyrido[3,4-b]indole
PubChem CID11075446
Molecular FormulaC11H6Cl2N2
Molecular Weight237.09 g/mol
Exact Mass235.99
IUPAC Name6,8-dichloro-9H-pyrido[3,4-b]indole
SMILESClc1cc(Cl)c2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H6Cl2N2/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H
InChIKeyFMHUTFHLSOWTSV-UHFFFAOYSA-N
XLogP4.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6,8-dichloro-9H-pyrido[3,4-b]indole (CID 11075446) is 6,8-dichloro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6,8-dichloro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6,8-dichloro-9H-pyrido[3,4-b]indole is Clc1cc(Cl)c2[nH]c3cnccc3c2c1.
What is the InChIKey of 6,8-dichloro-9H-pyrido[3,4-b]indole?
The InChIKey is FMHUTFHLSOWTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H.
What are the key properties of 6,8-dichloro-9H-pyrido[3,4-b]indole?
6,8-dichloro-9H-pyrido[3,4-b]indole has a molecular weight of 237.09 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11075446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).