2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid

C17H13ClN2O5S — CID 54751416

IUPAC2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21
InChIInChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyMVSRTFKTEAXLOI-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.44
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid

2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 54751416) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
PubChem CID54751416
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21
InChIInChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyMVSRTFKTEAXLOI-UHFFFAOYSA-N
XLogP2.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid (CID 54751416) is 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is MVSRTFKTEAXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 392.82 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 54751416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).