6-chloro-1-(2-pyridin-2-ylethyl)indole

C15H13ClN2 — CID 116620589

IUPAC6-chloro-1-(2-pyridin-2-ylethyl)indole
SMILESClc1ccc2ccn(CCc3ccccn3)c2c1
InChIInChI=1S/C15H13ClN2/c16-13-5-4-12-6-9-18(15(12)11-13)10-7-14-3-1-2-8-17-14/h1-6,8-9,11H,7,10H2
InChIKeyURPWISVWUWCJIS-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-1-(2-pyridin-2-ylethyl)indole

6-chloro-1-(2-pyridin-2-ylethyl)indole (PubChem CID 116620589) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 6-chloro-1-(2-pyridin-2-ylethyl)indole.

Molecular Properties

Compound Name6-chloro-1-(2-pyridin-2-ylethyl)indole
PubChem CID116620589
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name6-chloro-1-(2-pyridin-2-ylethyl)indole
SMILESClc1ccc2ccn(CCc3ccccn3)c2c1
InChIInChI=1S/C15H13ClN2/c16-13-5-4-12-6-9-18(15(12)11-13)10-7-14-3-1-2-8-17-14/h1-6,8-9,11H,7,10H2
InChIKeyURPWISVWUWCJIS-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
1-butyl-6-chloroindole
CID 67583801
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
1-(4-bromobutyl)-6-chloroindole
CID 135074562
6-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indole
CID 116620454
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
(6-chloroindol-1-yl)-pyridin-2-ylmethanone
CID 175014523
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-pyridin-2-ylethyl)indole?
The IUPAC name of 6-chloro-1-(2-pyridin-2-ylethyl)indole (CID 116620589) is 6-chloro-1-(2-pyridin-2-ylethyl)indole.
What is the SMILES notation for 6-chloro-1-(2-pyridin-2-ylethyl)indole?
The canonical SMILES for 6-chloro-1-(2-pyridin-2-ylethyl)indole is Clc1ccc2ccn(CCc3ccccn3)c2c1.
What is the InChIKey of 6-chloro-1-(2-pyridin-2-ylethyl)indole?
The InChIKey is URPWISVWUWCJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-5-4-12-6-9-18(15(12)11-13)10-7-14-3-1-2-8-17-14/h1-6,8-9,11H,7,10H2.
What are the key properties of 6-chloro-1-(2-pyridin-2-ylethyl)indole?
6-chloro-1-(2-pyridin-2-ylethyl)indole has a molecular weight of 256.74 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-pyridin-2-ylethyl)indole is sourced from PubChem (CID 116620589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).