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

C12H8Cl2N2O — CID 21362741

IUPAC6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1c(Cl)cc2c([nH]c3cnccc32)c1Cl
InChIInChI=1S/C12H8Cl2N2O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,1H3
InChIKeyQHCDWDRQLOZVDJ-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.03
Rot. Bonds1

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

6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 21362741) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole
PubChem CID21362741
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1c(Cl)cc2c([nH]c3cnccc32)c1Cl
InChIInChI=1S/C12H8Cl2N2O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,1H3
InChIKeyQHCDWDRQLOZVDJ-UHFFFAOYSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 54.03
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-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole (CID 21362741) is 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole is COc1c(Cl)cc2c([nH]c3cnccc32)c1Cl.
What is the InChIKey of 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is QHCDWDRQLOZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,1H3.
What are the key properties of 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole?
6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 267.12 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 21362741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).