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

C11H9BrFN — CID 130050134

IUPAC5-bromo-3-cyclopropyl-7-fluoro-1H-indole
SMILESFc1cc(Br)cc2c(C3CC3)c[nH]c12
InChIInChI=1S/C11H9BrFN/c12-7-3-8-9(6-1-2-6)5-14-11(8)10(13)4-7/h3-6,14H,1-2H2
InChIKeyMWAMFQQKEXZYEN-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.95
Rot. Bonds1

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

5-bromo-3-cyclopropyl-7-fluoro-1H-indole (PubChem CID 130050134) has the molecular formula C11H9BrFN and a molecular weight of 254.10 g/mol. Its IUPAC name is 5-bromo-3-cyclopropyl-7-fluoro-1H-indole.

Molecular Properties

Compound Name5-bromo-3-cyclopropyl-7-fluoro-1H-indole
PubChem CID130050134
Molecular FormulaC11H9BrFN
Molecular Weight254.10 g/mol
Exact Mass252.99
IUPAC Name5-bromo-3-cyclopropyl-7-fluoro-1H-indole
SMILESFc1cc(Br)cc2c(C3CC3)c[nH]c12
InChIInChI=1S/C11H9BrFN/c12-7-3-8-9(6-1-2-6)5-14-11(8)10(13)4-7/h3-6,14H,1-2H2
InChIKeyMWAMFQQKEXZYEN-UHFFFAOYSA-N
XLogP3.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopropyl-7-fluoro-1H-indole?
The IUPAC name of 5-bromo-3-cyclopropyl-7-fluoro-1H-indole (CID 130050134) is 5-bromo-3-cyclopropyl-7-fluoro-1H-indole.
What is the SMILES notation for 5-bromo-3-cyclopropyl-7-fluoro-1H-indole?
The canonical SMILES for 5-bromo-3-cyclopropyl-7-fluoro-1H-indole is Fc1cc(Br)cc2c(C3CC3)c[nH]c12.
What is the InChIKey of 5-bromo-3-cyclopropyl-7-fluoro-1H-indole?
The InChIKey is MWAMFQQKEXZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN/c12-7-3-8-9(6-1-2-6)5-14-11(8)10(13)4-7/h3-6,14H,1-2H2.
What are the key properties of 5-bromo-3-cyclopropyl-7-fluoro-1H-indole?
5-bromo-3-cyclopropyl-7-fluoro-1H-indole has a molecular weight of 254.10 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopropyl-7-fluoro-1H-indole is sourced from PubChem (CID 130050134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).