3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole

C17H10F3N3 — CID 53244604

IUPAC3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)11-3-4-14-12(6-11)13-7-15(22-9-16(13)23-14)10-2-1-5-21-8-10/h1-9,23H
InChIKeyXENKYFDLMZUTJO-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.80
Rot. Bonds1

About 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole

3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole (PubChem CID 53244604) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
PubChem CID53244604
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
SMILESFC(F)(F)c1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)11-3-4-14-12(6-11)13-7-15(22-9-16(13)23-14)10-2-1-5-21-8-10/h1-9,23H
InChIKeyXENKYFDLMZUTJO-UHFFFAOYSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole (CID 53244604) is 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole is FC(F)(F)c1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1.
What is the InChIKey of 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is XENKYFDLMZUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)11-3-4-14-12(6-11)13-7-15(22-9-16(13)23-14)10-2-1-5-21-8-10/h1-9,23H.
What are the key properties of 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole?
3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 313.28 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 53244604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).