5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid

C13H10N4O2S — CID 67809982

IUPAC5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cnc3ncncc3n2)s1
InChIInChI=1S/C13H10N4O2S/c18-13(19)11-4-3-9(20-11)2-1-8-5-15-12-10(17-8)6-14-7-16-12/h3-7H,1-2H2,(H,18,19)
InChIKeyIIFSZQMZWSEQIH-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.96
Rot. Bonds4

About 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid

5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid (PubChem CID 67809982) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid
PubChem CID67809982
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cnc3ncncc3n2)s1
InChIInChI=1S/C13H10N4O2S/c18-13(19)11-4-3-9(20-11)2-1-8-5-15-12-10(17-8)6-14-7-16-12/h3-7H,1-2H2,(H,18,19)
InChIKeyIIFSZQMZWSEQIH-UHFFFAOYSA-N
XLogP1.96
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid (CID 67809982) is 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(CCc2cnc3ncncc3n2)s1.
What is the InChIKey of 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid?
The InChIKey is IIFSZQMZWSEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-13(19)11-4-3-9(20-11)2-1-8-5-15-12-10(17-8)6-14-7-16-12/h3-7H,1-2H2,(H,18,19).
What are the key properties of 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid?
5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pteridin-6-ylethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 67809982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).