3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C21H14N2O4S — CID 67533952

IUPAC3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1
InChIInChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27)
InChIKeySWILSOJBWZGKCP-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.68
Rot. Bonds4

About 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 67533952) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID67533952
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC Name3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1
InChIInChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27)
InChIKeySWILSOJBWZGKCP-UHFFFAOYSA-N
XLogP3.68
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 67533952) is 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cccc(C(=O)c2c(C(=O)O)sc3c2ccc(=O)n3-c2ccccc2)n1.
What is the InChIKey of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SWILSOJBWZGKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4S/c1-12-6-5-9-15(22-12)18(25)17-14-10-11-16(24)23(13-7-3-2-4-8-13)20(14)28-19(17)21(26)27/h2-11H,1H3,(H,26,27).
What are the key properties of 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 67533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).