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'}

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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).