2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C14H8F4N2 — CID 71277568

IUPAC2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cc3cc(C(F)(F)F)cnc3[nH]2)cc1
InChIInChI=1S/C14H8F4N2/c15-11-3-1-8(2-4-11)12-6-9-5-10(14(16,17)18)7-19-13(9)20-12/h1-7H,(H,19,20)
InChIKeyYGUVWDVCHIXIDY-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

About 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71277568) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71277568
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2cc3cc(C(F)(F)F)cnc3[nH]2)cc1
InChIInChI=1S/C14H8F4N2/c15-11-3-1-8(2-4-11)12-6-9-5-10(14(16,17)18)7-19-13(9)20-12/h1-7H,(H,19,20)
InChIKeyYGUVWDVCHIXIDY-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 71277568) is 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2cc3cc(C(F)(F)F)cnc3[nH]2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YGUVWDVCHIXIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-11-3-1-8(2-4-11)12-6-9-5-10(14(16,17)18)7-19-13(9)20-12/h1-7H,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 280.22 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71277568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).