3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole

C14H12ClN3 — CID 11253902

IUPAC3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole
SMILESClc1nccc(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H12ClN3/c15-14-16-8-7-11(18-14)6-5-10-9-17-13-4-2-1-3-12(10)13/h1-4,7-9,17H,5-6H2
InChIKeyWIQYLFRPOQILAD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.40
Rot. Bonds3

About 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole

3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole (PubChem CID 11253902) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole
PubChem CID11253902
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole
SMILESClc1nccc(CCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H12ClN3/c15-14-16-8-7-11(18-14)6-5-10-9-17-13-4-2-1-3-12(10)13/h1-4,7-9,17H,5-6H2
InChIKeyWIQYLFRPOQILAD-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(1H-indol-3-ylmethyl)isoquinoline
CID 24973276
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-(1H-indol-3-yl)-N,N-bis(pyridin-2-ylmethyl)ethanamine oxide
CID 53494132
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
2-(1H-indol-3-yl)ethyl-(pyridin-4-ylmethyl)azanium chloride
CID 44665134
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole (CID 11253902) is 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole is Clc1nccc(CCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole?
The InChIKey is WIQYLFRPOQILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-14-16-8-7-11(18-14)6-5-10-9-17-13-4-2-1-3-12(10)13/h1-4,7-9,17H,5-6H2.
What are the key properties of 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole?
3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole has a molecular weight of 257.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloropyrimidin-4-yl)ethyl]-1H-indole is sourced from PubChem (CID 11253902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).