7-bromo-5-chloro-2,3-dihydro-1H-indole

C8H7BrClN — CID 80502832

IUPAC7-bromo-5-chloro-2,3-dihydro-1H-indole
SMILESClc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C8H7BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4,11H,1-2H2
InChIKeyISNLAPYSHBFQPM-UHFFFAOYSA-N
MW232.51 g/mol
LogP3.07
Rot. Bonds

About 7-bromo-5-chloro-2,3-dihydro-1H-indole

7-bromo-5-chloro-2,3-dihydro-1H-indole (PubChem CID 80502832) has the molecular formula C8H7BrClN and a molecular weight of 232.51 g/mol. Its IUPAC name is 7-bromo-5-chloro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-5-chloro-2,3-dihydro-1H-indole
PubChem CID80502832
Molecular FormulaC8H7BrClN
Molecular Weight232.51 g/mol
Exact Mass230.95
IUPAC Name7-bromo-5-chloro-2,3-dihydro-1H-indole
SMILESClc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C8H7BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4,11H,1-2H2
InChIKeyISNLAPYSHBFQPM-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-5-chloro-2,3-dihydro-1H-indole (CID 80502832) is 7-bromo-5-chloro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-5-chloro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-5-chloro-2,3-dihydro-1H-indole is Clc1cc(Br)c2c(c1)CCN2.
What is the InChIKey of 7-bromo-5-chloro-2,3-dihydro-1H-indole?
The InChIKey is ISNLAPYSHBFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4,11H,1-2H2.
What are the key properties of 7-bromo-5-chloro-2,3-dihydro-1H-indole?
7-bromo-5-chloro-2,3-dihydro-1H-indole has a molecular weight of 232.51 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2,3-dihydro-1H-indole is sourced from PubChem (CID 80502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).