5-bromo-7-fluoro-2-methyl-2H-indole

C9H7BrFN — CID 172852828

IUPAC5-bromo-7-fluoro-2-methyl-2H-indole
SMILESCC1C=c2cc(Br)cc(F)c2=N1
InChIInChI=1S/C9H7BrFN/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-5H,1H3
InChIKeyYHHRRQKWBPDOOO-UHFFFAOYSA-N
MW228.06 g/mol
LogP1.39
Rot. Bonds

About 5-bromo-7-fluoro-2-methyl-2H-indole

5-bromo-7-fluoro-2-methyl-2H-indole (PubChem CID 172852828) has the molecular formula C9H7BrFN and a molecular weight of 228.06 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2-methyl-2H-indole.

Molecular Properties

Compound Name5-bromo-7-fluoro-2-methyl-2H-indole
PubChem CID172852828
Molecular FormulaC9H7BrFN
Molecular Weight228.06 g/mol
Exact Mass226.97
IUPAC Name5-bromo-7-fluoro-2-methyl-2H-indole
SMILESCC1C=c2cc(Br)cc(F)c2=N1
InChIInChI=1S/C9H7BrFN/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-5H,1H3
InChIKeyYHHRRQKWBPDOOO-UHFFFAOYSA-N
XLogP1.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-4-fluoro-2,3-dimethyl-2H-indole
CID 139324903
5-fluoro-2-methyl-2H-indole
CID 173150045
CID 173768732
CID 173768732
2-ethyl-5-fluoro-2H-indole
CID 175232011
(6Z)-4-bromo-3-fluoro-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 177017589
6-bromo-7-fluoro-2H-indole
CID 126421810
6-bromo-3-methyl-2H-indole
CID 124517261
6-bromo-2-methyl-2H-indole
CID 146455495
4-bromo-6-chloro-2-methyl-2H-indole
CID 152477709
6-bromo-2,3-dimethyl-2H-indole
CID 153990710
6-bromo-4-chloro-2-methyl-2H-indole
CID 176078940
6-bromo-5-methyl-2H-indole
CID 176724126

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2-methyl-2H-indole?
The IUPAC name of 5-bromo-7-fluoro-2-methyl-2H-indole (CID 172852828) is 5-bromo-7-fluoro-2-methyl-2H-indole.
What is the SMILES notation for 5-bromo-7-fluoro-2-methyl-2H-indole?
The canonical SMILES for 5-bromo-7-fluoro-2-methyl-2H-indole is CC1C=c2cc(Br)cc(F)c2=N1.
What is the InChIKey of 5-bromo-7-fluoro-2-methyl-2H-indole?
The InChIKey is YHHRRQKWBPDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN/c1-5-2-6-3-7(10)4-8(11)9(6)12-5/h2-5H,1H3.
What are the key properties of 5-bromo-7-fluoro-2-methyl-2H-indole?
5-bromo-7-fluoro-2-methyl-2H-indole has a molecular weight of 228.06 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2-methyl-2H-indole is sourced from PubChem (CID 172852828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).