5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole

C13H13FN2 — CID 69401793

IUPAC5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole
SMILESFC1=CCC2=NC=C(C3=CCNCC3)C2=C1
InChIInChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1,3,7-8,15H,2,4-6H2
InChIKeySYTUMNSBTPQTLO-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.43
Rot. Bonds1

About 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole

5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole (PubChem CID 69401793) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole.

Molecular Properties

Compound Name5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole
PubChem CID69401793
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole
SMILESFC1=CCC2=NC=C(C3=CCNCC3)C2=C1
InChIInChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1,3,7-8,15H,2,4-6H2
InChIKeySYTUMNSBTPQTLO-UHFFFAOYSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dihydrotryptamine
CID 67008205
N-(cyclopropylmethyl)-2-(4-fluoro-7H-indol-3-yl)ethanamine
CID 67230442
N-(cyclopropylmethyl)-2-(6-fluoro-7H-indol-3-yl)ethanamine
CID 67230602
2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
CID 67230623
N-(cyclopropylmethyl)-2-(7-fluoro-7H-indol-3-yl)ethanamine
CID 67230934
2-(6-fluoro-7H-indol-3-yl)ethanamine
CID 67231232
N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine
CID 67231965
2-(5,6-difluoro-7H-indol-3-yl)ethanamine
CID 67232623
2-(4-fluoro-7H-indol-3-yl)ethanamine
CID 67232916
N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 68606008
N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 68609050
4-(5-fluoro-7H-indol-3-yl)butan-1-amine
CID 68758269

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole?
The IUPAC name of 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole (CID 69401793) is 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole.
What is the SMILES notation for 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole?
The canonical SMILES for 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole is FC1=CCC2=NC=C(C3=CCNCC3)C2=C1.
What is the InChIKey of 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole?
The InChIKey is SYTUMNSBTPQTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1,3,7-8,15H,2,4-6H2.
What are the key properties of 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole?
5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole has a molecular weight of 216.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-7H-indole is sourced from PubChem (CID 69401793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).