8-fluoro-9-methylpyrido[3,4-b]indol-3-amine

C12H10FN3 — CID 115029021

IUPAC8-fluoro-9-methylpyrido[3,4-b]indol-3-amine
SMILESCn1c2cnc(N)cc2c2cccc(F)c21
InChIInChI=1S/C12H10FN3/c1-16-10-6-15-11(14)5-8(10)7-3-2-4-9(13)12(7)16/h2-6H,1H3,(H2,14,15)
InChIKeyUSAMHDHAYJFQSB-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.45
Rot. Bonds

About 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine

8-fluoro-9-methylpyrido[3,4-b]indol-3-amine (PubChem CID 115029021) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name8-fluoro-9-methylpyrido[3,4-b]indol-3-amine
PubChem CID115029021
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name8-fluoro-9-methylpyrido[3,4-b]indol-3-amine
SMILESCn1c2cnc(N)cc2c2cccc(F)c21
InChIInChI=1S/C12H10FN3/c1-16-10-6-15-11(14)5-8(10)7-3-2-4-9(13)12(7)16/h2-6H,1H3,(H2,14,15)
InChIKeyUSAMHDHAYJFQSB-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-9-methylcarbazole
CID 139447921
5,8-difluoroisoquinolin-3-amine
CID 53418204
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
8-fluoro-4-propan-2-ylisoquinolin-1-amine
CID 115063353
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
1,9-dimethylpyrido[3,4-b]indol-3-amine
CID 115027398
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
ethane;9-methylcarbazol-1-amine
CID 142426342

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine?
The IUPAC name of 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine (CID 115029021) is 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine?
The canonical SMILES for 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine is Cn1c2cnc(N)cc2c2cccc(F)c21.
What is the InChIKey of 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine?
The InChIKey is USAMHDHAYJFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-16-10-6-15-11(14)5-8(10)7-3-2-4-9(13)12(7)16/h2-6H,1H3,(H2,14,15).
What are the key properties of 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine?
8-fluoro-9-methylpyrido[3,4-b]indol-3-amine has a molecular weight of 215.23 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methylpyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115029021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).