4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C11H7F3N4 — CID 166375892

IUPAC4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)n1cnc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)18-5-9(17-6-18)7-1-3-15-10-8(7)2-4-16-10/h1-6H,(H,15,16)
InChIKeyFTRRXOAHSVUSOK-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.90
Rot. Bonds1

About 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166375892) has the molecular formula C11H7F3N4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID166375892
Molecular FormulaC11H7F3N4
Molecular Weight252.20 g/mol
Exact Mass252.06
IUPAC Name4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)n1cnc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C11H7F3N4/c12-11(13,14)18-5-9(17-6-18)7-1-3-15-10-8(7)2-4-16-10/h1-6H,(H,15,16)
InChIKeyFTRRXOAHSVUSOK-UHFFFAOYSA-N
XLogP2.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 166375892) is 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)n1cnc(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FTRRXOAHSVUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4/c12-11(13,14)18-5-9(17-6-18)7-1-3-15-10-8(7)2-4-16-10/h1-6H,(H,15,16).
What are the key properties of 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 252.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166375892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).