3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one

C14H11F3N2O2 — CID 135059756

IUPAC3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one
SMILESO=c1[nH]c2[nH]c3ccccc3c2c(C(F)(F)F)c1CCO
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-8(5-6-20)13(21)19-12-10(11)7-3-1-2-4-9(7)18-12/h1-4,20H,5-6H2,(H2,18,19,21)
InChIKeyXHJQEDZZQWTZHP-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.56
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one

3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one (PubChem CID 135059756) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one
PubChem CID135059756
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one
SMILESO=c1[nH]c2[nH]c3ccccc3c2c(C(F)(F)F)c1CCO
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-8(5-6-20)13(21)19-12-10(11)7-3-1-2-4-9(7)18-12/h1-4,20H,5-6H2,(H2,18,19,21)
InChIKeyXHJQEDZZQWTZHP-UHFFFAOYSA-N
XLogP2.56
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one (CID 135059756) is 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one is O=c1[nH]c2[nH]c3ccccc3c2c(C(F)(F)F)c1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one?
The InChIKey is XHJQEDZZQWTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11-8(5-6-20)13(21)19-12-10(11)7-3-1-2-4-9(7)18-12/h1-4,20H,5-6H2,(H2,18,19,21).
What are the key properties of 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one?
3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one has a molecular weight of 296.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-(trifluoromethyl)-1,9-dihydropyrido[2,3-b]indol-2-one is sourced from PubChem (CID 135059756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).