7-(trifluoromethyl)-9H-pyrido[3,4-b]indole

C12H7F3N2 — CID 22185227

IUPAC7-(trifluoromethyl)-9H-pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H
InChIKeyUEQGBTJIWXDXDG-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.73
Rot. Bonds

About 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole

7-(trifluoromethyl)-9H-pyrido[3,4-b]indole (PubChem CID 22185227) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-(trifluoromethyl)-9H-pyrido[3,4-b]indole
PubChem CID22185227
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name7-(trifluoromethyl)-9H-pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H
InChIKeyUEQGBTJIWXDXDG-UHFFFAOYSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole (CID 22185227) is 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole is FC(F)(F)c1ccc2c(c1)[nH]c1cnccc12.
What is the InChIKey of 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is UEQGBTJIWXDXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)7-1-2-8-9-3-4-16-6-11(9)17-10(8)5-7/h1-6,17H.
What are the key properties of 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
7-(trifluoromethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 236.20 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 22185227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).