2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

C16H11ClFNO4S — CID 11624826

IUPAC2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H11ClFNO4S/c1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13/h2-4,6,20H,5H2,1H3,(H,21,22)
InChIKeyVWCBDOGIKHJUGP-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.82
Rot. Bonds3

About 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (PubChem CID 11624826) has the molecular formula C16H11ClFNO4S and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
PubChem CID11624826
Molecular FormulaC16H11ClFNO4S
Molecular Weight367.79 g/mol
Exact Mass367.01
IUPAC Name2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H11ClFNO4S/c1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13/h2-4,6,20H,5H2,1H3,(H,21,22)
InChIKeyVWCBDOGIKHJUGP-UHFFFAOYSA-N
XLogP3.82
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (CID 11624826) is 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The InChIKey is VWCBDOGIKHJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO4S/c1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13/h2-4,6,20H,5H2,1H3,(H,21,22).
What are the key properties of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid has a molecular weight of 367.79 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 11624826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).