9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole

C19H13F3N2 — CID 135060443

IUPAC9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole
SMILESFC(F)(F)c1cccc(Cn2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C19H13F3N2/c20-19(21,22)14-6-3-5-13(11-14)12-24-17-9-2-1-7-15(17)16-8-4-10-23-18(16)24/h1-11H,12H2
InChIKeySSZMUIIFMGOIIG-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.26
Rot. Bonds2

About 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole

9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole (PubChem CID 135060443) has the molecular formula C19H13F3N2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole
PubChem CID135060443
Molecular FormulaC19H13F3N2
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole
SMILESFC(F)(F)c1cccc(Cn2c3ccccc3c3cccnc32)c1
InChIInChI=1S/C19H13F3N2/c20-19(21,22)14-6-3-5-13(11-14)12-24-17-9-2-1-7-15(17)16-8-4-10-23-18(16)24/h1-11H,12H2
InChIKeySSZMUIIFMGOIIG-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
CP-154526
CID 5311055
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
Neocryptolepine
CID 390526
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
9H-Pyrido(2,3-b)indole
CID 67486
5,11-Dimethyl-5H-indolo(2,3-b)quinoline
CID 133982
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole (CID 135060443) is 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole is FC(F)(F)c1cccc(Cn2c3ccccc3c3cccnc32)c1.
What is the InChIKey of 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole?
The InChIKey is SSZMUIIFMGOIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2/c20-19(21,22)14-6-3-5-13(11-14)12-24-17-9-2-1-7-15(17)16-8-4-10-23-18(16)24/h1-11H,12H2.
What are the key properties of 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole?
9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole has a molecular weight of 326.32 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]indole is sourced from PubChem (CID 135060443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).