5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole

C13H13ClN2 — CID 168941463

IUPAC5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3=CCCNC3)c2c1
InChIInChI=1S/C13H13ClN2/c14-10-3-4-13-11(6-10)12(8-16-13)9-2-1-5-15-7-9/h2-4,6,8,15-16H,1,5,7H2
InChIKeyNNGUQRONEZILFK-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.20
Rot. Bonds1

About 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole

5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole (PubChem CID 168941463) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
PubChem CID168941463
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
SMILESClc1ccc2[nH]cc(C3=CCCNC3)c2c1
InChIInChI=1S/C13H13ClN2/c14-10-3-4-13-11(6-10)12(8-16-13)9-2-1-5-15-7-9/h2-4,6,8,15-16H,1,5,7H2
InChIKeyNNGUQRONEZILFK-UHFFFAOYSA-N
XLogP3.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941676
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-(2-fluoro-5-methylphenyl)-1,2,3,6-tetrahydropyridine
CID 130506647
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
CID 71101477
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-chlorophenyl)methanone
CID 84558810
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
CID 176569727
1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-methylphenyl)ethanone
CID 113086953
3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
CID 90829094
5-chloro-3-iodo-1H-indole
CID 2762969
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
(3-bromophenyl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84558955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole?
The IUPAC name of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole (CID 168941463) is 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole?
The canonical SMILES for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole is Clc1ccc2[nH]cc(C3=CCCNC3)c2c1.
What is the InChIKey of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole?
The InChIKey is NNGUQRONEZILFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-10-3-4-13-11(6-10)12(8-16-13)9-2-1-5-15-7-9/h2-4,6,8,15-16H,1,5,7H2.
What are the key properties of 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole?
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole has a molecular weight of 232.71 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole is sourced from PubChem (CID 168941463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).