(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone

C14H9ClFNO2S — CID 141206563

IUPAC(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone
SMILESCc1cc2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNO2S/c1-7-4-8-5-11(18)9(16)6-10(8)17(7)14(19)12-2-3-13(15)20-12/h2-6,18H,1H3
InChIKeyUWWRTIJKKWTBFM-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.20
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone

(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone (PubChem CID 141206563) has the molecular formula C14H9ClFNO2S and a molecular weight of 309.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone
PubChem CID141206563
Molecular FormulaC14H9ClFNO2S
Molecular Weight309.75 g/mol
Exact Mass309.00
IUPAC Name(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone
SMILESCc1cc2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H9ClFNO2S/c1-7-4-8-5-11(18)9(16)6-10(8)17(7)14(19)12-2-3-13(15)20-12/h2-6,18H,1H3
InChIKeyUWWRTIJKKWTBFM-UHFFFAOYSA-N
XLogP4.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone (CID 141206563) is (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone is Cc1cc2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone?
The InChIKey is UWWRTIJKKWTBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO2S/c1-7-4-8-5-11(18)9(16)6-10(8)17(7)14(19)12-2-3-13(15)20-12/h2-6,18H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone?
(5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone has a molecular weight of 309.75 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(6-fluoro-5-hydroxy-2-methylindol-1-yl)methanone is sourced from PubChem (CID 141206563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).