5-bromo-7-fluoro-2,4-dimethyl-1H-indole

C10H9BrFN — CID 167477335

IUPAC5-bromo-7-fluoro-2,4-dimethyl-1H-indole
SMILESCc1cc2c(C)c(Br)cc(F)c2[nH]1
InChIInChI=1S/C10H9BrFN/c1-5-3-7-6(2)8(11)4-9(12)10(7)13-5/h3-4,13H,1-2H3
InChIKeyHKYMEEFUQMFBKJ-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.69
Rot. Bonds

About 5-bromo-7-fluoro-2,4-dimethyl-1H-indole

5-bromo-7-fluoro-2,4-dimethyl-1H-indole (PubChem CID 167477335) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2,4-dimethyl-1H-indole.

Molecular Properties

Compound Name5-bromo-7-fluoro-2,4-dimethyl-1H-indole
PubChem CID167477335
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name5-bromo-7-fluoro-2,4-dimethyl-1H-indole
SMILESCc1cc2c(C)c(Br)cc(F)c2[nH]1
InChIInChI=1S/C10H9BrFN/c1-5-3-7-6(2)8(11)4-9(12)10(7)13-5/h3-4,13H,1-2H3
InChIKeyHKYMEEFUQMFBKJ-UHFFFAOYSA-N
XLogP3.69
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-bromo-8-fluoro-5-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165453256
5-bromo-6,7-difluoro-2-methyl-1H-indole
CID 118989892
7-fluoro-2-methyl-1H-indole-4-carbonitrile
CID 130048520
4-bromo-2,6-difluoro-3-methylaniline
CID 57493956
2-(7-bromo-2-methyl-1H-indol-4-yl)ethanamine
CID 130048518
4-fluoro-2-methyl-1H-indole-7-carbaldehyde
CID 143126641
5,7-difluoro-4-methyl-1H-indole-2-carbonitrile
CID 145311742
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
6-bromo-8-fluoro-4,5-dimethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 167477379
3-bromo-5-methyl-4H-furo[3,2-b]pyrrole
CID 59683343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2,4-dimethyl-1H-indole?
The IUPAC name of 5-bromo-7-fluoro-2,4-dimethyl-1H-indole (CID 167477335) is 5-bromo-7-fluoro-2,4-dimethyl-1H-indole.
What is the SMILES notation for 5-bromo-7-fluoro-2,4-dimethyl-1H-indole?
The canonical SMILES for 5-bromo-7-fluoro-2,4-dimethyl-1H-indole is Cc1cc2c(C)c(Br)cc(F)c2[nH]1.
What is the InChIKey of 5-bromo-7-fluoro-2,4-dimethyl-1H-indole?
The InChIKey is HKYMEEFUQMFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-5-3-7-6(2)8(11)4-9(12)10(7)13-5/h3-4,13H,1-2H3.
What are the key properties of 5-bromo-7-fluoro-2,4-dimethyl-1H-indole?
5-bromo-7-fluoro-2,4-dimethyl-1H-indole has a molecular weight of 242.09 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2,4-dimethyl-1H-indole is sourced from PubChem (CID 167477335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).