3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole

C13H11ClN2O — CID 115045950

IUPAC3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
SMILESCOc1cccc2c1c1cc(Cl)ncc1n2C
InChIInChI=1S/C13H11ClN2O/c1-16-9-4-3-5-11(17-2)13(9)8-6-12(14)15-7-10(8)16/h3-7H,1-2H3
InChIKeyWLKOKYCJYNKLRZ-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.39
Rot. Bonds1

About 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole

3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole (PubChem CID 115045950) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
PubChem CID115045950
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
SMILESCOc1cccc2c1c1cc(Cl)ncc1n2C
InChIInChI=1S/C13H11ClN2O/c1-16-9-4-3-5-11(17-2)13(9)8-6-12(14)15-7-10(8)16/h3-7H,1-2H3
InChIKeyWLKOKYCJYNKLRZ-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,9-dimethylcarbazole
CID 86239473
3-chloro-8-methoxyisoquinoline
CID 14589577
3-chloro-7,9-dimethylpyrido[3,4-b]indole
CID 115038034
5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
CID 139447926
5-chloro-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 141136063
2-butyl-5-methoxy-9-methylcarbazole
CID 86239479
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252489
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593
(3-chloro-6-methoxyisoquinolin-5-yl)boronic acid
CID 168880108
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole?
The IUPAC name of 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole (CID 115045950) is 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole is COc1cccc2c1c1cc(Cl)ncc1n2C.
What is the InChIKey of 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole?
The InChIKey is WLKOKYCJYNKLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-16-9-4-3-5-11(17-2)13(9)8-6-12(14)15-7-10(8)16/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole?
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole has a molecular weight of 246.70 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 115045950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).