3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid

C15H10ClNO5S — CID 68832381

IUPAC3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc(-c2ccc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C15H10ClNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-1-2-9-7(5-8)3-4-17-9/h1-5,17H,6H2,(H,18,19)(H,20,21)
InChIKeyJOXATIFTXITARA-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.71
Rot. Bonds5

About 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid

3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid (PubChem CID 68832381) has the molecular formula C15H10ClNO5S and a molecular weight of 351.77 g/mol. Its IUPAC name is 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid
PubChem CID68832381
Molecular FormulaC15H10ClNO5S
Molecular Weight351.77 g/mol
Exact Mass351.00
IUPAC Name3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid
SMILESO=C(O)COc1c(C(=O)O)sc(-c2ccc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C15H10ClNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-1-2-9-7(5-8)3-4-17-9/h1-5,17H,6H2,(H,18,19)(H,20,21)
InChIKeyJOXATIFTXITARA-UHFFFAOYSA-N
XLogP3.71
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid (CID 68832381) is 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid is O=C(O)COc1c(C(=O)O)sc(-c2ccc3[nH]ccc3c2)c1Cl.
What is the InChIKey of 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid?
The InChIKey is JOXATIFTXITARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO5S/c16-11-12(22-6-10(18)19)14(15(20)21)23-13(11)8-1-2-9-7(5-8)3-4-17-9/h1-5,17H,6H2,(H,18,19)(H,20,21).
What are the key properties of 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid?
3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid has a molecular weight of 351.77 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-4-chloro-5-(1H-indol-5-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 68832381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).