8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine

C12H10FN3 — CID 115029017

IUPAC8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1[nH]c1c(F)cccc12
InChIInChI=1S/C12H10FN3/c1-6-11-8(5-10(14)15-6)7-3-2-4-9(13)12(7)16-11/h2-5,16H,1H3,(H2,14,15)
InChIKeyBJDHDRBWXVOKDO-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.75
Rot. Bonds

About 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine

8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115029017) has the molecular formula C12H10FN3 and a molecular weight of 215.23 g/mol. Its IUPAC name is 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115029017
Molecular FormulaC12H10FN3
Molecular Weight215.23 g/mol
Exact Mass215.09
IUPAC Name8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1[nH]c1c(F)cccc12
InChIInChI=1S/C12H10FN3/c1-6-11-8(5-10(14)15-6)7-3-2-4-9(13)12(7)16-11/h2-5,16H,1H3,(H2,14,15)
InChIKeyBJDHDRBWXVOKDO-UHFFFAOYSA-N
XLogP2.75
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115051030
8-fluoro-1-methylisoquinolin-3-amine
CID 53419053
1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115037629
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine
CID 142460303
[4-(7-fluoro-2-methyl-1H-indol-3-yl)oxan-4-yl]methanamine
CID 82278444
2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
7-fluoro-3-methyl-1H-indole
CID 55287812
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
4-amino-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 82077032
1,9-dimethylpyrido[3,4-b]indol-3-amine
CID 115027398

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine (CID 115029017) is 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine is Cc1nc(N)cc2c1[nH]c1c(F)cccc12.
What is the InChIKey of 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is BJDHDRBWXVOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3/c1-6-11-8(5-10(14)15-6)7-3-2-4-9(13)12(7)16-11/h2-5,16H,1H3,(H2,14,15).
What are the key properties of 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 215.23 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115029017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).