4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

C17H13NO5S — CID 11121450

IUPAC4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cccc(Oc2cncc3sc(C(=O)O)cc23)c1
InChIInChI=1S/C17H13NO5S/c1-2-22-17(21)10-4-3-5-11(6-10)23-13-8-18-9-15-12(13)7-14(24-15)16(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyNPFMWXTZGBLXQO-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.96
Rot. Bonds5

About 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 11121450) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID11121450
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCCOC(=O)c1cccc(Oc2cncc3sc(C(=O)O)cc23)c1
InChIInChI=1S/C17H13NO5S/c1-2-22-17(21)10-4-3-5-11(6-10)23-13-8-18-9-15-12(13)7-14(24-15)16(19)20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyNPFMWXTZGBLXQO-UHFFFAOYSA-N
XLogP3.96
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
CID 10154441
ethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]benzoate
CID 86669549
methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
diethyl benzene-1,3-dicarboxylate
CID 12491
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
ethyl 3-(3,5-dichlorophenoxy)benzoate
CID 170871962
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
CID 66714636
CID 66714636
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 18516240
4-[4-(1,1-difluoro-2-oxopropyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 20594234
methyl 4-[4-[1-(trityloxymethyl)cyclopropyl]phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 11135740
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (CID 11121450) is 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is CCOC(=O)c1cccc(Oc2cncc3sc(C(=O)O)cc23)c1.
What is the InChIKey of 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is NPFMWXTZGBLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5S/c1-2-22-17(21)10-4-3-5-11(6-10)23-13-8-18-9-15-12(13)7-14(24-15)16(19)20/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 11121450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).