7-chloro-5-fluoro-2H-indole

C8H5ClFN — CID 125421358

IUPAC7-chloro-5-fluoro-2H-indole
SMILESFc1cc(Cl)c2c(c1)=CCN=2
InChIInChI=1S/C8H5ClFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1,3-4H,2H2
InChIKeyAEUMHQYHBHWCBC-UHFFFAOYSA-N
MW169.59 g/mol
LogP0.89
Rot. Bonds

About 7-chloro-5-fluoro-2H-indole

7-chloro-5-fluoro-2H-indole (PubChem CID 125421358) has the molecular formula C8H5ClFN and a molecular weight of 169.59 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2H-indole.

Molecular Properties

Compound Name7-chloro-5-fluoro-2H-indole
PubChem CID125421358
Molecular FormulaC8H5ClFN
Molecular Weight169.59 g/mol
Exact Mass169.01
IUPAC Name7-chloro-5-fluoro-2H-indole
SMILESFc1cc(Cl)c2c(c1)=CCN=2
InChIInChI=1S/C8H5ClFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1,3-4H,2H2
InChIKeyAEUMHQYHBHWCBC-UHFFFAOYSA-N
XLogP0.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.59
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2H-indole?
The IUPAC name of 7-chloro-5-fluoro-2H-indole (CID 125421358) is 7-chloro-5-fluoro-2H-indole.
What is the SMILES notation for 7-chloro-5-fluoro-2H-indole?
The canonical SMILES for 7-chloro-5-fluoro-2H-indole is Fc1cc(Cl)c2c(c1)=CCN=2.
What is the InChIKey of 7-chloro-5-fluoro-2H-indole?
The InChIKey is AEUMHQYHBHWCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1,3-4H,2H2.
What are the key properties of 7-chloro-5-fluoro-2H-indole?
7-chloro-5-fluoro-2H-indole has a molecular weight of 169.59 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2H-indole is sourced from PubChem (CID 125421358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).