3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole

C18H11F4N3 — CID 174897334

IUPAC3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole
SMILESC1=NC2=CC=NC2=C1.Fc1c(-c2cccnc2)cccc1C(F)(F)F
InChIInChI=1S/C12H7F4N.C6H4N2/c13-11-9(8-3-2-6-17-7-8)4-1-5-10(11)12(14,15)16;1-3-7-6-2-4-8-5(1)6/h1-7H;1-4H
InChIKeyUTBQCVWIBHRXBN-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.83
Rot. Bonds1

About 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole

3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole (PubChem CID 174897334) has the molecular formula C18H11F4N3 and a molecular weight of 345.30 g/mol. Its IUPAC name is 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole
PubChem CID174897334
Molecular FormulaC18H11F4N3
Molecular Weight345.30 g/mol
Exact Mass345.09
IUPAC Name3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole
SMILESC1=NC2=CC=NC2=C1.Fc1c(-c2cccnc2)cccc1C(F)(F)F
InChIInChI=1S/C12H7F4N.C6H4N2/c13-11-9(8-3-2-6-17-7-8)4-1-5-10(11)12(14,15)16;1-3-7-6-2-4-8-5(1)6/h1-7H;1-4H
InChIKeyUTBQCVWIBHRXBN-UHFFFAOYSA-N
XLogP4.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole?
The IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole (CID 174897334) is 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole?
The canonical SMILES for 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole is C1=NC2=CC=NC2=C1.Fc1c(-c2cccnc2)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole?
The InChIKey is UTBQCVWIBHRXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N.C6H4N2/c13-11-9(8-3-2-6-17-7-8)4-1-5-10(11)12(14,15)16;1-3-7-6-2-4-8-5(1)6/h1-7H;1-4H.
What are the key properties of 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole?
3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole has a molecular weight of 345.30 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(trifluoromethyl)phenyl]pyridine;pyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 174897334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).