5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]

C13H13BrFN — CID 155429488

IUPAC5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
SMILESCC1=Nc2c(F)cc(Br)cc2C12CCCC2
InChIInChI=1S/C13H13BrFN/c1-8-13(4-2-3-5-13)10-6-9(14)7-11(15)12(10)16-8/h6-7H,2-5H2,1H3
InChIKeyWCNICMBABIUWST-UHFFFAOYSA-N
MW282.16 g/mol
LogP4.51
Rot. Bonds

About 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]

5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] (PubChem CID 155429488) has the molecular formula C13H13BrFN and a molecular weight of 282.16 g/mol. Its IUPAC name is 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Name5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
PubChem CID155429488
Molecular FormulaC13H13BrFN
Molecular Weight282.16 g/mol
Exact Mass281.02
IUPAC Name5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
SMILESCC1=Nc2c(F)cc(Br)cc2C12CCCC2
InChIInChI=1S/C13H13BrFN/c1-8-13(4-2-3-5-13)10-6-9(14)7-11(15)12(10)16-8/h6-7H,2-5H2,1H3
InChIKeyWCNICMBABIUWST-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The IUPAC name of 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] (CID 155429488) is 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole].
What is the SMILES notation for 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The canonical SMILES for 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] is CC1=Nc2c(F)cc(Br)cc2C12CCCC2.
What is the InChIKey of 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The InChIKey is WCNICMBABIUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN/c1-8-13(4-2-3-5-13)10-6-9(14)7-11(15)12(10)16-8/h6-7H,2-5H2,1H3.
What are the key properties of 5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
5'-bromo-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] has a molecular weight of 282.16 g/mol, XLogP of 4.51, 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'-methylspiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 155429488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).