1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine

C8H5F3N2O — CID 172748006

IUPAC1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine
SMILESOn1ccc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-2-1-6-5(12-7)3-4-13(6)14/h1-4,14H
InChIKeyJZHPSZWVYMIMLZ-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.29
Rot. Bonds

About 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine

1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine (PubChem CID 172748006) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine
PubChem CID172748006
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine
SMILESOn1ccc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-2-1-6-5(12-7)3-4-13(6)14/h1-4,14H
InChIKeyJZHPSZWVYMIMLZ-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-1-carboxamide
CID 68556730
[5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl] 2-methylbutanoate
CID 174559902
2-(trifluoromethyl)quinoline-6,7-diol
CID 135735543
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
1-methyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
CID 105485170
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
6-fluoro-2-(trifluoromethyl)quinoline
CID 11074775
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
2-fluoro-3-methyl-6-(trifluoromethyl)pyridine
CID 130253491
5-(trifluoromethyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one
CID 166139012
1-chloro-2-[1-methylsulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-2-yl]propan-2-ol
CID 58979631
5-chloro-2-(trifluoromethyl)quinoline
CID 10889765

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine (CID 172748006) is 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine is On1ccc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is JZHPSZWVYMIMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)7-2-1-6-5(12-7)3-4-13(6)14/h1-4,14H.
What are the key properties of 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine?
1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 202.14 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 172748006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).