2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole

C22H18ClFN2 — CID 58200668

IUPAC2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole
SMILESCCc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C22H18ClFN2/c1-3-16-9-13(2)17(12-25-16)14-7-8-20-15(10-14)11-21(26-20)22-18(23)5-4-6-19(22)24/h4-12,26H,3H2,1-2H3
InChIKeyGPACVJOLMIVONB-UHFFFAOYSA-N
MW364.85 g/mol
LogP6.56
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole

2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole (PubChem CID 58200668) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole
PubChem CID58200668
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole
SMILESCCc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1
InChIInChI=1S/C22H18ClFN2/c1-3-16-9-13(2)17(12-25-16)14-7-8-20-15(10-14)11-21(26-20)22-18(23)5-4-6-19(22)24/h4-12,26H,3H2,1-2H3
InChIKeyGPACVJOLMIVONB-UHFFFAOYSA-N
XLogP6.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ellipticine
CID 3213
5-Methyltryptamine
CID 15760
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
5-Chlorotryptamine
CID 77379
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
Alx-0646
CID 9860595
Ellipticine hydrochloride
CID 169532
5-phenyl-1H-indole
CID 11458210
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-(4-pyridyl)-1H-indole
CID 644354
Gevotroline
CID 60547

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole (CID 58200668) is 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole is CCc1cc(C)c(-c2ccc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole?
The InChIKey is GPACVJOLMIVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2/c1-3-16-9-13(2)17(12-25-16)14-7-8-20-15(10-14)11-21(26-20)22-18(23)5-4-6-19(22)24/h4-12,26H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole?
2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole has a molecular weight of 364.85 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(6-ethyl-4-methyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 58200668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).