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

C22H12F12N4 — CID 139136040

IUPAC2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1
InChIInChI=1S/2C11H6F6N2/c2*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h2*1-5,19H
InChIKeyAJIFIXCLXPDHAU-UHFFFAOYSA-N
MW560.34 g/mol
LogP8.23
Rot. Bonds2

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

2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine (PubChem CID 139136040) has the molecular formula C22H12F12N4 and a molecular weight of 560.34 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 CID139136040
Molecular FormulaC22H12F12N4
Molecular Weight560.34 g/mol
Exact Mass560.09
IUPAC Name2-[3,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[nH]1
InChIInChI=1S/2C11H6F6N2/c2*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h2*1-5,19H
InChIKeyAJIFIXCLXPDHAU-UHFFFAOYSA-N
XLogP8.23
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.34
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
3-(4-Fluorophenyl)-2-(pyridin-4-yl)-1h-pyrrolo[3,2-b]pyridine
CID 11833097
4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 15550445
4-[2-(4-fluorophenyl)-5-[1-[[(2S)-1-methylazetidin-2-yl]methyl]piperidin-4-yl]-1H-pyrrol-3-yl]pyridine
CID 44453447
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole
CID 21922663
3,3'-(piperazine-1,4-diyldimethanediyl)bis(1H-indole)
CID 412865
4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine
CID 11011691
4-{2-(4-Fluoro-phenyl)-5-[1-(1-methyl-azetidin-2-ylmethyl)-piperidin-4-yl]-1H-pyrrol-3-yl}-pyridine
CID 22958973
4-[2-(4-Fluoro-phenyl)-4-methyl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399291
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-ylmethyl}-cyclopropylamine
CID 44399308
2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethylamine
CID 44399613
3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propylamine
CID 44399722

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 139136040) 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.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 AJIFIXCLXPDHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H6F6N2/c2*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7/h2*1-5,19H.
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 560.34 g/mol, XLogP of 8.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 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 139136040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).