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

C13H12Cl2N2 — CID 18545981

IUPAC6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESClc1ccc2c(C3=CCNCC3)c[nH]c2c1Cl
InChIInChI=1S/C13H12Cl2N2/c14-11-2-1-9-10(7-17-13(9)12(11)15)8-3-5-16-6-4-8/h1-3,7,16-17H,4-6H2
InChIKeyMEQWBDKXLISICJ-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.85
Rot. Bonds1

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

6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 18545981) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID18545981
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESClc1ccc2c(C3=CCNCC3)c[nH]c2c1Cl
InChIInChI=1S/C13H12Cl2N2/c14-11-2-1-9-10(7-17-13(9)12(11)15)8-3-5-16-6-4-8/h1-3,7,16-17H,4-6H2
InChIKeyMEQWBDKXLISICJ-UHFFFAOYSA-N
XLogP3.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 18545981) is 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Clc1ccc2c(C3=CCNCC3)c[nH]c2c1Cl.
What is the InChIKey of 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is MEQWBDKXLISICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-11-2-1-9-10(7-17-13(9)12(11)15)8-3-5-16-6-4-8/h1-3,7,16-17H,4-6H2.
What are the key properties of 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 267.16 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 18545981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).