2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine

C11H6F6N2 — CID 59729606

IUPAC2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h1-5,19H
InChIKeyPYMARABFZMVGFR-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.11
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine

2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 59729606) has the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
PubChem CID59729606
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h1-5,19H
InChIKeyPYMARABFZMVGFR-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine (CID 59729606) is 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is PYMARABFZMVGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h1-5,19H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine has a molecular weight of 280.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 59729606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).