6-chloro-5-fluoro-1H-indole

C8H5ClFN — CID 2773648

IUPAC6-chloro-5-fluoro-1H-indole
SMILESFc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C8H5ClFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H
InChIKeyANGRSSWNBDJESO-UHFFFAOYSA-N
MW169.59 g/mol
LogP2.96
Rot. Bonds

About 6-chloro-5-fluoro-1H-indole

6-chloro-5-fluoro-1H-indole (PubChem CID 2773648) has the molecular formula C8H5ClFN and a molecular weight of 169.59 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1H-indole.

Molecular Properties

Compound Name6-chloro-5-fluoro-1H-indole
PubChem CID2773648
Molecular FormulaC8H5ClFN
Molecular Weight169.59 g/mol
Exact Mass169.01
IUPAC Name6-chloro-5-fluoro-1H-indole
SMILESFc1cc2cc[nH]c2cc1Cl
InChIInChI=1S/C8H5ClFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H
InChIKeyANGRSSWNBDJESO-UHFFFAOYSA-N
XLogP2.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.59
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1H-indole?
The IUPAC name of 6-chloro-5-fluoro-1H-indole (CID 2773648) is 6-chloro-5-fluoro-1H-indole.
What is the SMILES notation for 6-chloro-5-fluoro-1H-indole?
The canonical SMILES for 6-chloro-5-fluoro-1H-indole is Fc1cc2cc[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-fluoro-1H-indole?
The InChIKey is ANGRSSWNBDJESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H.
What are the key properties of 6-chloro-5-fluoro-1H-indole?
6-chloro-5-fluoro-1H-indole has a molecular weight of 169.59 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1H-indole is sourced from PubChem (CID 2773648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).