7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

C7H5N3O2 — CID 57415818

IUPAC7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2[nH]ccc12
InChIInChI=1S/C7H5N3O2/c11-7(12)5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChIKeyCSVBAOOXLRAOLW-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.66
Rot. Bonds1

About 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid (PubChem CID 57415818) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
PubChem CID57415818
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ncnc2[nH]ccc12
InChIInChI=1S/C7H5N3O2/c11-7(12)5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChIKeyCSVBAOOXLRAOLW-UHFFFAOYSA-N
XLogP0.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid (CID 57415818) is 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid is O=C(O)c1ncnc2[nH]ccc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is CSVBAOOXLRAOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-7(12)5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,11,12)(H,8,9,10).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid?
7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 163.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 57415818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).