2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine

C11H6F6N2 — CID 20807365

IUPAC2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[nH]c1C(F)(F)F
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(7-3-1-2-4-18-7)19-9(6)11(15,16)17/h1-5,19H
InChIKeyWOESXKIVCVTSNK-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.11
Rot. Bonds1

About 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine

2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 20807365) has the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
PubChem CID20807365
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)[nH]c1C(F)(F)F
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(7-3-1-2-4-18-7)19-9(6)11(15,16)17/h1-5,19H
InChIKeyWOESXKIVCVTSNK-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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Related Compounds

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
4-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 113241920
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
CID 59757598
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
6-pyridin-2-yl-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206451
CID 154704206
CID 154704206
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-[4-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314885
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The IUPAC name of 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine (CID 20807365) is 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The canonical SMILES for 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)[nH]c1C(F)(F)F.
What is the InChIKey of 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
The InChIKey is WOESXKIVCVTSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2/c12-10(13,14)6-5-8(7-3-1-2-4-18-7)19-9(6)11(15,16)17/h1-5,19H.
What are the key properties of 2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine?
2-[4,5-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-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine is sourced from PubChem (CID 20807365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).