9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one

C16H11F3N2O — CID 46244165

IUPAC9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one
SMILESO=C1CCc2c(ccc3[nH]c4cc(C(F)(F)F)ccc4c23)N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-10-13(7-8)20-12-5-4-11-9(15(10)12)3-6-14(22)21-11/h1-2,4-5,7,20H,3,6H2,(H,21,22)
InChIKeyLMJKWSNXAALLFE-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.22
Rot. Bonds

About 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one

9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one (PubChem CID 46244165) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one.

Molecular Properties

Compound Name9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one
PubChem CID46244165
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one
SMILESO=C1CCc2c(ccc3[nH]c4cc(C(F)(F)F)ccc4c23)N1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-10-13(7-8)20-12-5-4-11-9(15(10)12)3-6-14(22)21-11/h1-2,4-5,7,20H,3,6H2,(H,21,22)
InChIKeyLMJKWSNXAALLFE-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one?
The IUPAC name of 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one (CID 46244165) is 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one.
What is the SMILES notation for 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one?
The canonical SMILES for 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one is O=C1CCc2c(ccc3[nH]c4cc(C(F)(F)F)ccc4c23)N1.
What is the InChIKey of 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one?
The InChIKey is LMJKWSNXAALLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)8-1-2-10-13(7-8)20-12-5-4-11-9(15(10)12)3-6-14(22)21-11/h1-2,4-5,7,20H,3,6H2,(H,21,22).
What are the key properties of 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one?
9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one has a molecular weight of 304.27 g/mol, XLogP of 4.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-1,2,4,7-tetrahydropyrido[2,3-c]carbazol-3-one is sourced from PubChem (CID 46244165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).