6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid

C15H11FN2O6S — CID 58236987

IUPAC6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2cc3cc(C(=O)O)[nH]c3c(O)c2F)cn1
InChIInChI=1S/C15H11FN2O6S/c1-25(22,23)11-3-2-8(6-17-11)24-10-5-7-4-9(15(20)21)18-13(7)14(19)12(10)16/h2-6,18-19H,1H3,(H,20,21)
InChIKeyYHPMFNWFNRFLFF-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.30
Rot. Bonds4

About 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid

6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid (PubChem CID 58236987) has the molecular formula C15H11FN2O6S and a molecular weight of 366.33 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
PubChem CID58236987
Molecular FormulaC15H11FN2O6S
Molecular Weight366.33 g/mol
Exact Mass366.03
IUPAC Name6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2cc3cc(C(=O)O)[nH]c3c(O)c2F)cn1
InChIInChI=1S/C15H11FN2O6S/c1-25(22,23)11-3-2-8(6-17-11)24-10-5-7-4-9(15(20)21)18-13(7)14(19)12(10)16/h2-6,18-19H,1H3,(H,20,21)
InChIKeyYHPMFNWFNRFLFF-UHFFFAOYSA-N
XLogP2.30
TPSA129.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5,5,5-trifluoro-1-[2-[5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-(oxan-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]pentan-2-one
CID 58081021
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 58236930
6-Fluoro-7-hydroxy-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxamide
CID 58236955
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]ethanol
CID 58237021
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]-N-methylacetamide
CID 58237030
ethyl 2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 58237069
2-[2-[6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetic acid
CID 58237083
6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carboxamide
CID 58237089
6-fluoro-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-7-propoxy-1H-indole-2-carbothioamide
CID 58237099
ethyl 6-fluoro-7-[(methylsulfonyl)oxy]-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxylate
CID 58237123
2-[2-[6-fluoro-7-(2-methoxyethoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]butanoic acid
CID 66897585
6-Fluoro-7-(2-methoxyethoxy)-5-{[6-(methylsulfonyl)pyridin-3-yl]oxy}-1H-indole-2-carboxamide
CID 66898014

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid (CID 58236987) is 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid is CS(=O)(=O)c1ccc(Oc2cc3cc(C(=O)O)[nH]c3c(O)c2F)cn1.
What is the InChIKey of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The InChIKey is YHPMFNWFNRFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O6S/c1-25(22,23)11-3-2-8(6-17-11)24-10-5-7-4-9(15(20)21)18-13(7)14(19)12(10)16/h2-6,18-19H,1H3,(H,20,21).
What are the key properties of 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid has a molecular weight of 366.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 58236987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).