5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C7H5N3O2 — CID 69228712

IUPAC5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=Nc2ncncc2C1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h2-3H,1H2,(H,11,12)
InChIKeyXLKPRGSMSBDBLW-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.19
Rot. Bonds1

About 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 69228712) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID69228712
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=Nc2ncncc2C1
InChIInChI=1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h2-3H,1H2,(H,11,12)
InChIKeyXLKPRGSMSBDBLW-UHFFFAOYSA-N
XLogP0.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 69228712) is 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)C1=Nc2ncncc2C1.
What is the InChIKey of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XLKPRGSMSBDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h2-3H,1H2,(H,11,12).
What are the key properties of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 69228712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).