6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid

C16H12FNO3 — CID 82107113

IUPAC6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(-c3cc(F)ccc3O)cc21
InChIInChI=1S/C16H12FNO3/c1-18-13-6-9(12-8-11(17)4-5-15(12)19)2-3-10(13)7-14(18)16(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyBXWQUPGQHGUFAT-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.39
Rot. Bonds2

About 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid

6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid (PubChem CID 82107113) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid
PubChem CID82107113
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(-c3cc(F)ccc3O)cc21
InChIInChI=1S/C16H12FNO3/c1-18-13-6-9(12-8-11(17)4-5-15(12)19)2-3-10(13)7-14(18)16(20)21/h2-8,19H,1H3,(H,20,21)
InChIKeyBXWQUPGQHGUFAT-UHFFFAOYSA-N
XLogP3.39
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid?
The IUPAC name of 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid (CID 82107113) is 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2ccc(-c3cc(F)ccc3O)cc21.
What is the InChIKey of 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid?
The InChIKey is BXWQUPGQHGUFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-18-13-6-9(12-8-11(17)4-5-15(12)19)2-3-10(13)7-14(18)16(20)21/h2-8,19H,1H3,(H,20,21).
What are the key properties of 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid?
6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-hydroxyphenyl)-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 82107113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).