7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole

C15H11ClFNO — CID 71602486

IUPAC7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(F)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H11ClFNO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(17)8-13(16)15(10)18-14/h2-8,18H,1H3
InChIKeySXTALUAWMKJXED-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.64
Rot. Bonds2

About 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole

7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole (PubChem CID 71602486) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole
PubChem CID71602486
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(F)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H11ClFNO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(17)8-13(16)15(10)18-14/h2-8,18H,1H3
InChIKeySXTALUAWMKJXED-UHFFFAOYSA-N
XLogP4.64
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole (CID 71602486) is 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3cc(F)cc(Cl)c3[nH]2)cc1.
What is the InChIKey of 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is SXTALUAWMKJXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(17)8-13(16)15(10)18-14/h2-8,18H,1H3.
What are the key properties of 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole?
7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole has a molecular weight of 275.71 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 71602486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).