2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid

C17H10N2O3S — CID 45376505

IUPAC2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1sc(-c2cc(C(=O)O)c(O)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H10N2O3S/c18-8-16-11(10-4-2-1-3-5-10)7-15(23-16)13-6-12(17(21)22)14(20)9-19-13/h1-7,9,20H,(H,21,22)
InChIKeyDQWSVTKZAPHJEG-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.75
Rot. Bonds3

About 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid

2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid (PubChem CID 45376505) has the molecular formula C17H10N2O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
PubChem CID45376505
Molecular FormulaC17H10N2O3S
Molecular Weight322.35 g/mol
Exact Mass322.04
IUPAC Name2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1sc(-c2cc(C(=O)O)c(O)cn2)cc1-c1ccccc1
InChIInChI=1S/C17H10N2O3S/c18-8-16-11(10-4-2-1-3-5-10)7-15(23-16)13-6-12(17(21)22)14(20)9-19-13/h1-7,9,20H,(H,21,22)
InChIKeyDQWSVTKZAPHJEG-UHFFFAOYSA-N
XLogP3.75
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid (CID 45376505) is 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid is N#Cc1sc(-c2cc(C(=O)O)c(O)cn2)cc1-c1ccccc1.
What is the InChIKey of 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid?
The InChIKey is DQWSVTKZAPHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3S/c18-8-16-11(10-4-2-1-3-5-10)7-15(23-16)13-6-12(17(21)22)14(20)9-19-13/h1-7,9,20H,(H,21,22).
What are the key properties of 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid?
2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid has a molecular weight of 322.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-4-phenylthiophen-2-yl)-5-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 45376505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).