ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate

C16H13ClN2O3S — CID 58826951

IUPACethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cnccc2c1Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C16H13ClN2O3S/c1-2-22-16(21)15-14(10-5-6-18-8-13(10)23-15)19-9-3-4-11(17)12(20)7-9/h3-8,19-20H,2H2,1H3
InChIKeyUCFTYCLDYPHGED-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.58
Rot. Bonds4

About ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate

ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 58826951) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID58826951
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Nameethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cnccc2c1Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C16H13ClN2O3S/c1-2-22-16(21)15-14(10-5-6-18-8-13(10)23-15)19-9-3-4-11(17)12(20)7-9/h3-8,19-20H,2H2,1H3
InChIKeyUCFTYCLDYPHGED-UHFFFAOYSA-N
XLogP4.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate (CID 58826951) is ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1sc2cnccc2c1Nc1ccc(Cl)c(O)c1.
What is the InChIKey of ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is UCFTYCLDYPHGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-2-22-16(21)15-14(10-5-6-18-8-13(10)23-15)19-9-3-4-11(17)12(20)7-9/h3-8,19-20H,2H2,1H3.
What are the key properties of ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate?
ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 348.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chloro-3-hydroxyanilino)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 58826951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).