8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C13H15FN2O — CID 105494350

IUPAC8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1c(F)ccc2c1c1c(n2C)CCNC1
InChIInChI=1S/C13H15FN2O/c1-16-10-5-6-15-7-8(10)12-11(16)4-3-9(14)13(12)17-2/h3-4,15H,5-7H2,1-2H3
InChIKeyYFZIKNRJIUFXRH-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.97
Rot. Bonds1

About 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 105494350) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID105494350
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1c(F)ccc2c1c1c(n2C)CCNC1
InChIInChI=1S/C13H15FN2O/c1-16-10-5-6-15-7-8(10)12-11(16)4-3-9(14)13(12)17-2/h3-4,15H,5-7H2,1-2H3
InChIKeyYFZIKNRJIUFXRH-UHFFFAOYSA-N
XLogP1.97
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 83880773
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 66485037
6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 169428435
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82492833
6,8-dimethoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 82498212
4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 149421846
2-(5-fluoro-4-methoxy-1-methylindol-3-yl)acetic acid
CID 58304033
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
CID 83881219
5-bromo-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 83902348
6-tert-butyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82497329
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
6,7-dimethoxy-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 59526473

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 105494350) is 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is COc1c(F)ccc2c1c1c(n2C)CCNC1.
What is the InChIKey of 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is YFZIKNRJIUFXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-10-5-6-15-7-8(10)12-11(16)4-3-9(14)13(12)17-2/h3-4,15H,5-7H2,1-2H3.
What are the key properties of 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 234.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 105494350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).