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

C16H14F3N3O — CID 78140695

IUPAC2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1cnc2[nH]c3ccc(C4CNCCO4)cc3c2c1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-2,5-7,14,20H,3-4,8H2,(H,21,22)
InChIKeyHAWWFPQBTDLNJU-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.40
Rot. Bonds1

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

2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (PubChem CID 78140695) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
PubChem CID78140695
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine
SMILESFC(F)(F)c1cnc2[nH]c3ccc(C4CNCCO4)cc3c2c1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-2,5-7,14,20H,3-4,8H2,(H,21,22)
InChIKeyHAWWFPQBTDLNJU-UHFFFAOYSA-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 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The IUPAC name of 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine (CID 78140695) is 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The canonical SMILES for 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is FC(F)(F)c1cnc2[nH]c3ccc(C4CNCCO4)cc3c2c1.
What is the InChIKey of 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
The InChIKey is HAWWFPQBTDLNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)10-6-12-11-5-9(14-8-20-3-4-23-14)1-2-13(11)22-15(12)21-7-10/h1-2,5-7,14,20H,3-4,8H2,(H,21,22).
What are the key properties of 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine?
2-[3-(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 2-[3-(trifluoromethyl)-9H-pyrido[2,3-b]indol-6-yl]morpholine is sourced from PubChem (CID 78140695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).