7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C7H5N3O — CID 19064035

IUPAC7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESO=Cc1c[nH]c2ncncc12
InChIInChI=1S/C7H5N3O/c11-3-5-1-9-7-6(5)2-8-4-10-7/h1-4H,(H,8,9,10)
InChIKeyQMGYOQXVUMVWGT-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.77
Rot. Bonds1

About 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 19064035) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID19064035
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESO=Cc1c[nH]c2ncncc12
InChIInChI=1S/C7H5N3O/c11-3-5-1-9-7-6(5)2-8-4-10-7/h1-4H,(H,8,9,10)
InChIKeyQMGYOQXVUMVWGT-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 19064035) is 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is O=Cc1c[nH]c2ncncc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is QMGYOQXVUMVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-3-5-1-9-7-6(5)2-8-4-10-7/h1-4H,(H,8,9,10).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 19064035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).