7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid

C17H16N2O4S — CID 143876568

IUPAC7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C17H16N2O4S/c1-3-22-14-8-12(23-11-4-5-15(24-2)18-9-11)6-10-7-13(17(20)21)19-16(10)14/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyAEIHASMHSNVWIM-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.17
Rot. Bonds6

About 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid

7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid (PubChem CID 143876568) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
PubChem CID143876568
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
SMILESCCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C17H16N2O4S/c1-3-22-14-8-12(23-11-4-5-15(24-2)18-9-11)6-10-7-13(17(20)21)19-16(10)14/h4-9,19H,3H2,1-2H3,(H,20,21)
InChIKeyAEIHASMHSNVWIM-UHFFFAOYSA-N
XLogP4.17
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
CID 143876557
5-[(6-methyl-3-pyridinyl)oxy]-7-pentan-3-yloxy-1H-indole-2-carboxylic acid;sulfur dioxide
CID 123940236
7-hydroxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid
CID 58237078
7-(1-methoxypropan-2-yloxy)-5-(4-methylsulfanylphenoxy)-1H-indole-2-carboxylic acid
CID 143876574
7-[(6-chloro-2-pyridinyl)methoxy]-5-(4-methylphenoxy)-1H-indole-2-carboxylic acid
CID 58237004
methyl 7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indole-2-carboxylate
CID 58237066
7-methoxy-5-[(5-methyl-2-pyridinyl)oxy]-1H-indole-2-carboxylic acid
CID 58236988
ethyl 5-(4-methylphenoxy)-7-propan-2-yloxy-1H-indole-2-carboxylate;sulfur dioxide
CID 157325314
5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
ethyl 2-[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indole-2-carbonyl]hydrazinyl]-2-oxoacetate;sulfur dioxide
CID 161425003
ethyl 2-[2-[7-methoxy-5-[(6-methyl-3-pyridinyl)oxy]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate;sulfur dioxide
CID 158176648
7-(1,3-dimethoxypropan-2-yloxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]-1H-indole-2-carbothioamide
CID 86652843

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid (CID 143876568) is 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid is CCOc1cc(Oc2ccc(SC)nc2)cc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
The InChIKey is AEIHASMHSNVWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-22-14-8-12(23-11-4-5-15(24-2)18-9-11)6-10-7-13(17(20)21)19-16(10)14/h4-9,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid?
7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-[(6-methylsulfanyl-3-pyridinyl)oxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 143876568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).