3-bromo-5-fluoro-7-methoxy-1H-indole

C9H7BrFNO — CID 130052168

IUPAC3-bromo-5-fluoro-7-methoxy-1H-indole
SMILESCOc1cc(F)cc2c(Br)c[nH]c12
InChIInChI=1S/C9H7BrFNO/c1-13-8-3-5(11)2-6-7(10)4-12-9(6)8/h2-4,12H,1H3
InChIKeyMLACGQPKJFXTTC-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.08
Rot. Bonds1

About 3-bromo-5-fluoro-7-methoxy-1H-indole

3-bromo-5-fluoro-7-methoxy-1H-indole (PubChem CID 130052168) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 3-bromo-5-fluoro-7-methoxy-1H-indole.

Molecular Properties

Compound Name3-bromo-5-fluoro-7-methoxy-1H-indole
PubChem CID130052168
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name3-bromo-5-fluoro-7-methoxy-1H-indole
SMILESCOc1cc(F)cc2c(Br)c[nH]c12
InChIInChI=1S/C9H7BrFNO/c1-13-8-3-5(11)2-6-7(10)4-12-9(6)8/h2-4,12H,1H3
InChIKeyMLACGQPKJFXTTC-UHFFFAOYSA-N
XLogP3.08
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
3-chloro-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759440
2-(5-fluoro-7-methoxy-1H-indol-3-yl)cyclopentan-1-amine
CID 54011465
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
7-bromo-5-fluoro-3-propan-2-yl-1H-indole
CID 106985590
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
7-fluoro-5-methoxy-2H-isoquinolin-1-one
CID 71742702
5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
CID 163323842
7-methoxy-3-methyl-1H-indol-5-ol
CID 84655900

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-7-methoxy-1H-indole?
The IUPAC name of 3-bromo-5-fluoro-7-methoxy-1H-indole (CID 130052168) is 3-bromo-5-fluoro-7-methoxy-1H-indole.
What is the SMILES notation for 3-bromo-5-fluoro-7-methoxy-1H-indole?
The canonical SMILES for 3-bromo-5-fluoro-7-methoxy-1H-indole is COc1cc(F)cc2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-5-fluoro-7-methoxy-1H-indole?
The InChIKey is MLACGQPKJFXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c1-13-8-3-5(11)2-6-7(10)4-12-9(6)8/h2-4,12H,1H3.
What are the key properties of 3-bromo-5-fluoro-7-methoxy-1H-indole?
3-bromo-5-fluoro-7-methoxy-1H-indole has a molecular weight of 244.06 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-7-methoxy-1H-indole is sourced from PubChem (CID 130052168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).