1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol

C18H11F3N2O — CID 11088739

IUPAC1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2ccccc2C(F)(F)F)c2c1[nH]c1ccccc12
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)12-7-3-1-5-10(12)16-15-11-6-2-4-8-13(11)23-17(15)14(24)9-22-16/h1-9,23-24H
InChIKeyMMYIZUQHEBPBJM-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.11
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol

1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol (PubChem CID 11088739) has the molecular formula C18H11F3N2O and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol
PubChem CID11088739
Molecular FormulaC18H11F3N2O
Molecular Weight328.29 g/mol
Exact Mass328.08
IUPAC Name1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2ccccc2C(F)(F)F)c2c1[nH]c1ccccc12
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)12-7-3-1-5-10(12)16-15-11-6-2-4-8-13(11)23-17(15)14(24)9-22-16/h1-9,23-24H
InChIKeyMMYIZUQHEBPBJM-UHFFFAOYSA-N
XLogP5.11
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol (CID 11088739) is 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol is Oc1cnc(-c2ccccc2C(F)(F)F)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol?
The InChIKey is MMYIZUQHEBPBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O/c19-18(20,21)12-7-3-1-5-10(12)16-15-11-6-2-4-8-13(11)23-17(15)14(24)9-22-16/h1-9,23-24H.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol?
1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol has a molecular weight of 328.29 g/mol, XLogP of 5.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]-5H-pyrido[4,3-b]indol-4-ol is sourced from PubChem (CID 11088739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).