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

C34H21BrCl3F2N3 — CID 158219935

IUPAC5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
SMILESCc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Fc1cccc(Cl)c1-c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C20H13Cl2FN2.C14H8BrClFN/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17/h2-10,25H,1H3;1-7,18H
InChIKeyGDCVRYILSDTBPT-UHFFFAOYSA-N
MW695.82 g/mol
LogP12.04
Rot. Bonds3

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

5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole (PubChem CID 158219935) has the molecular formula C34H21BrCl3F2N3 and a molecular weight of 695.82 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
PubChem CID158219935
Molecular FormulaC34H21BrCl3F2N3
Molecular Weight695.82 g/mol
Exact Mass693.00
IUPAC Name5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole
SMILESCc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Fc1cccc(Cl)c1-c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C20H13Cl2FN2.C14H8BrClFN/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17/h2-10,25H,1H3;1-7,18H
InChIKeyGDCVRYILSDTBPT-UHFFFAOYSA-N
XLogP12.04
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.82
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole with MolForge

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Related Compounds

3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 72735020
Topoisomerase I inhibitor 9
CID 73352358
1H-Indole, 3,3'-[(4-chlorophenyl)methylene]bis[5-bromo-
CID 11598752
3-[(5-bromo-1H-indol-3-yl)-(1H-indol-3-yl)methyl]-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole
CID 145962698
4-(1,3-Dioxoisoindolin-2-yl)-N-(4-methoxyphenyl)benzenesulphonamide (10)
CID 91937826
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,5-difluorophenyl)methyl]-1H-indole
CID 44244397
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole
CID 86276284
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-chlorophenyl)methyl]-1H-indole
CID 86276285
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole
CID 86276287
5-bromo-3-[[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 171346183
3-[(5-bromo-1H-indol-3-yl)-(4-fluorophenyl)methyl]-1-methyl-2-phenylindole
CID 166445471
3-[(5-bromo-1H-indol-3-yl)-(4-fluorophenyl)methyl]-1,2-dimethylindole
CID 166445478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The IUPAC name of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole (CID 158219935) is 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole is Cc1cc(Cl)ncc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1.Fc1cccc(Cl)c1-c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
The InChIKey is GDCVRYILSDTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2.C14H8BrClFN/c1-11-7-19(22)24-10-14(11)12-5-6-17-13(8-12)9-18(25-17)20-15(21)3-2-4-16(20)23;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17/h2-10,25H,1H3;1-7,18H.
What are the key properties of 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole?
5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole has a molecular weight of 695.82 g/mol, XLogP of 12.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(6-chloro-4-methyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 158219935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).