3-bromo-4-fluoro-1,2-dimethylindole

C10H9BrFN — CID 84703117

IUPAC3-bromo-4-fluoro-1,2-dimethylindole
SMILESCc1c(Br)c2c(F)cccc2n1C
InChIInChI=1S/C10H9BrFN/c1-6-10(11)9-7(12)4-3-5-8(9)13(6)2/h3-5H,1-2H3
InChIKeyFLKKCNYTLOVZIB-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.39
Rot. Bonds

About 3-bromo-4-fluoro-1,2-dimethylindole

3-bromo-4-fluoro-1,2-dimethylindole (PubChem CID 84703117) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 3-bromo-4-fluoro-1,2-dimethylindole.

Molecular Properties

Compound Name3-bromo-4-fluoro-1,2-dimethylindole
PubChem CID84703117
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name3-bromo-4-fluoro-1,2-dimethylindole
SMILESCc1c(Br)c2c(F)cccc2n1C
InChIInChI=1S/C10H9BrFN/c1-6-10(11)9-7(12)4-3-5-8(9)13(6)2/h3-5H,1-2H3
InChIKeyFLKKCNYTLOVZIB-UHFFFAOYSA-N
XLogP3.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclopropylmethyl)-4-fluoro-1,2-dimethylindole
CID 143750031
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
5-fluoro-3-(2-hydroxyethyl)-1-methylquinazoline-2,4-dione
CID 117262049
4-fluoro-1-methyl-2-propan-2-ylindole-3-carboxylic acid
CID 84698511
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
4-ethyl-1,2,3-trimethylindole
CID 118253289
3-bromo-1,4-dimethylindole-2-carboxylic acid
CID 115049841
2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826
1-fluoro-9-methylcarbazole
CID 139447921
ethane;4-fluoro-1-methylbenzimidazole
CID 144723199
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4-bromo-1,3-dimethyl-2-phenylindole
CID 68814415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-1,2-dimethylindole?
The IUPAC name of 3-bromo-4-fluoro-1,2-dimethylindole (CID 84703117) is 3-bromo-4-fluoro-1,2-dimethylindole.
What is the SMILES notation for 3-bromo-4-fluoro-1,2-dimethylindole?
The canonical SMILES for 3-bromo-4-fluoro-1,2-dimethylindole is Cc1c(Br)c2c(F)cccc2n1C.
What is the InChIKey of 3-bromo-4-fluoro-1,2-dimethylindole?
The InChIKey is FLKKCNYTLOVZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-6-10(11)9-7(12)4-3-5-8(9)13(6)2/h3-5H,1-2H3.
What are the key properties of 3-bromo-4-fluoro-1,2-dimethylindole?
3-bromo-4-fluoro-1,2-dimethylindole has a molecular weight of 242.09 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-1,2-dimethylindole is sourced from PubChem (CID 84703117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).