3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

C13H12F3N3 — CID 168995104

IUPAC3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)C1C=C(c2c[nH]c3ncccc23)CNC1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-4-8(5-17-6-9)11-7-19-12-10(11)2-1-3-18-12/h1-4,7,9,17H,5-6H2,(H,18,19)
InChIKeyPSASKRJMPGVOHC-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.73
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 168995104) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID168995104
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)C1C=C(c2c[nH]c3ncccc23)CNC1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)9-4-8(5-17-6-9)11-7-19-12-10(11)2-1-3-18-12/h1-4,7,9,17H,5-6H2,(H,18,19)
InChIKeyPSASKRJMPGVOHC-UHFFFAOYSA-N
XLogP2.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995117
3-[1-(2,2-difluoropropyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995085
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
CID 174781441
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382179
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 168995104) is 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)C1C=C(c2c[nH]c3ncccc23)CNC1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PSASKRJMPGVOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)9-4-8(5-17-6-9)11-7-19-12-10(11)2-1-3-18-12/h1-4,7,9,17H,5-6H2,(H,18,19).
What are the key properties of 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 267.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 168995104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).