(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

C16H14F3N3O — CID 71656989

IUPAC(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)/t13-/m1/s1
InChIKeyNPRYQYIFPROKNO-CYBMUJFWSA-N
MW321.30 g/mol
LogP3.40
Rot. Bonds1

About (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine

(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (PubChem CID 71656989) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
PubChem CID71656989
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)/t13-/m1/s1
InChIKeyNPRYQYIFPROKNO-CYBMUJFWSA-N
XLogP3.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The IUPAC name of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (CID 71656989) is (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.
What is the SMILES notation for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The canonical SMILES for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is FC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12.
What is the InChIKey of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The InChIKey is NPRYQYIFPROKNO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
(2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine has a molecular weight of 321.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is sourced from PubChem (CID 71656989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).