1-(3-bromophenyl)-2,3-dimethylindole

C16H14BrN — CID 146003926

IUPAC1-(3-bromophenyl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C16H14BrN/c1-11-12(2)18(14-7-5-6-13(17)10-14)16-9-4-3-8-15(11)16/h3-10H,1-2H3
InChIKeyUUPQCDKFTGQFQH-UHFFFAOYSA-N
MW300.20 g/mol
LogP5.01
Rot. Bonds1

About 1-(3-bromophenyl)-2,3-dimethylindole

1-(3-bromophenyl)-2,3-dimethylindole (PubChem CID 146003926) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,3-dimethylindole.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,3-dimethylindole
PubChem CID146003926
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name1-(3-bromophenyl)-2,3-dimethylindole
SMILESCc1c(C)n(-c2cccc(Br)c2)c2ccccc12
InChIInChI=1S/C16H14BrN/c1-11-12(2)18(14-7-5-6-13(17)10-14)16-9-4-3-8-15(11)16/h3-10H,1-2H3
InChIKeyUUPQCDKFTGQFQH-UHFFFAOYSA-N
XLogP5.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.20
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 172522364
1-[2-bromo-3-(2,3-dimethylindol-1-yl)phenyl]-2,3-dimethylindole
CID 155244032
10-(3-bromophenyl)-[1]benzofuro[3,2-b]indole
CID 176780467
3-[3-(3-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 118462638
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
ethane;9-(3-methylphenyl)carbazole
CID 143904684
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
CID 143516126
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,3-dimethylindole?
The IUPAC name of 1-(3-bromophenyl)-2,3-dimethylindole (CID 146003926) is 1-(3-bromophenyl)-2,3-dimethylindole.
What is the SMILES notation for 1-(3-bromophenyl)-2,3-dimethylindole?
The canonical SMILES for 1-(3-bromophenyl)-2,3-dimethylindole is Cc1c(C)n(-c2cccc(Br)c2)c2ccccc12.
What is the InChIKey of 1-(3-bromophenyl)-2,3-dimethylindole?
The InChIKey is UUPQCDKFTGQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c1-11-12(2)18(14-7-5-6-13(17)10-14)16-9-4-3-8-15(11)16/h3-10H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2,3-dimethylindole?
1-(3-bromophenyl)-2,3-dimethylindole has a molecular weight of 300.20 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,3-dimethylindole is sourced from PubChem (CID 146003926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).