6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

C13H11ClN2O — CID 10977761

IUPAC6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1cc2[nH]c3c(C)nccc3c2cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3
InChIKeySADZEFVTUDJBOP-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.69
Rot. Bonds1

About 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 10977761) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID10977761
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
SMILESCOc1cc2[nH]c3c(C)nccc3c2cc1Cl
InChIInChI=1S/C13H11ClN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3
InChIKeySADZEFVTUDJBOP-UHFFFAOYSA-N
XLogP3.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole (CID 10977761) is 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole is COc1cc2[nH]c3c(C)nccc3c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is SADZEFVTUDJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3.
What are the key properties of 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole?
6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 246.70 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).