7-chloro-6-fluoro-1H-indole

C8H5ClFN — CID 18986231

IUPAC7-chloro-6-fluoro-1H-indole
SMILESFc1ccc2cc[nH]c2c1Cl
InChIInChI=1S/C8H5ClFN/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H
InChIKeyNWWMTPOETWQYKK-UHFFFAOYSA-N
MW169.59 g/mol
LogP2.96
Rot. Bonds

About 7-chloro-6-fluoro-1H-indole

7-chloro-6-fluoro-1H-indole (PubChem CID 18986231) has the molecular formula C8H5ClFN and a molecular weight of 169.59 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1H-indole.

Molecular Properties

Compound Name7-chloro-6-fluoro-1H-indole
PubChem CID18986231
Molecular FormulaC8H5ClFN
Molecular Weight169.59 g/mol
Exact Mass169.01
IUPAC Name7-chloro-6-fluoro-1H-indole
SMILESFc1ccc2cc[nH]c2c1Cl
InChIInChI=1S/C8H5ClFN/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H
InChIKeyNWWMTPOETWQYKK-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 7-chloro-6-fluoro-1H-indole?
The IUPAC name of 7-chloro-6-fluoro-1H-indole (CID 18986231) is 7-chloro-6-fluoro-1H-indole.
What is the SMILES notation for 7-chloro-6-fluoro-1H-indole?
The canonical SMILES for 7-chloro-6-fluoro-1H-indole is Fc1ccc2cc[nH]c2c1Cl.
What is the InChIKey of 7-chloro-6-fluoro-1H-indole?
The InChIKey is NWWMTPOETWQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,11H.
What are the key properties of 7-chloro-6-fluoro-1H-indole?
7-chloro-6-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 7-chloro-6-fluoro-1H-indole is sourced from PubChem (CID 18986231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).