8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole

C12H13FN2 — CID 67312164

IUPAC8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole
SMILESCN1CCC2=NC3=CCC(F)=CC3=C2C1
InChIInChI=1S/C12H13FN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h3,6H,2,4-5,7H2,1H3
InChIKeyIVTWWSTXUZXGNQ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.21
Rot. Bonds

About 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole

8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole (PubChem CID 67312164) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole
PubChem CID67312164
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole
SMILESCN1CCC2=NC3=CCC(F)=CC3=C2C1
InChIInChI=1S/C12H13FN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h3,6H,2,4-5,7H2,1H3
InChIKeyIVTWWSTXUZXGNQ-UHFFFAOYSA-N
XLogP2.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
2-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824927
3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824930
n-Methylharman
CID 23113700
Piperidinopyrroloindole
CID 129814335
1-butylpiperidine;3,3-difluoro-2H-acridine
CID 160676935
1,11-Diazatetracyclo[13.2.2.04,12.05,10]nonadeca-2,4,6,8,10,12,14-heptaene
CID 54020179
1,4-dimethyl-2-methylidene-3-tritio-6H-pyrrolo[3,2-c]pyridine-3,6-diide;tungsten;yttrium
CID 59708837
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
2-Methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 68924582
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole (CID 67312164) is 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole is CN1CCC2=NC3=CCC(F)=CC3=C2C1.
What is the InChIKey of 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole?
The InChIKey is IVTWWSTXUZXGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-15-5-4-12-10(7-15)9-6-8(13)2-3-11(9)14-12/h3,6H,2,4-5,7H2,1H3.
What are the key properties of 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole?
8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole has a molecular weight of 204.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-1,3,4,7-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 67312164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).