6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

C14H8F4N2 — CID 174897333

IUPAC6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1c(-c2cnc3cc[nH]c3c2)cccc1C(F)(F)F
InChIInChI=1S/C14H8F4N2/c15-13-9(2-1-3-10(13)14(16,17)18)8-6-12-11(20-7-8)4-5-19-12/h1-7,19H
InChIKeyZNHLUESTONRSCX-UHFFFAOYSA-N
MW280.22 g/mol
LogP4.39
Rot. Bonds1

About 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine

6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 174897333) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID174897333
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFc1c(-c2cnc3cc[nH]c3c2)cccc1C(F)(F)F
InChIInChI=1S/C14H8F4N2/c15-13-9(2-1-3-10(13)14(16,17)18)8-6-12-11(20-7-8)4-5-19-12/h1-7,19H
InChIKeyZNHLUESTONRSCX-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 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine (CID 174897333) is 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is Fc1c(-c2cnc3cc[nH]c3c2)cccc1C(F)(F)F.
What is the InChIKey of 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZNHLUESTONRSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c15-13-9(2-1-3-10(13)14(16,17)18)8-6-12-11(20-7-8)4-5-19-12/h1-7,19H.
What are the key properties of 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine?
6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-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 6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 174897333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).