2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol

C6H3Cl2N3O — CID 131502833

IUPAC2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
SMILESOc1c[nH]c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C6H3Cl2N3O/c7-4-3-2(12)1-9-5(3)11-6(8)10-4/h1,12H,(H,9,10,11)
InChIKeyCJAKMNNMZAZOGO-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.97
Rot. Bonds

About 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol

2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol (PubChem CID 131502833) has the molecular formula C6H3Cl2N3O and a molecular weight of 204.02 g/mol. Its IUPAC name is 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
PubChem CID131502833
Molecular FormulaC6H3Cl2N3O
Molecular Weight204.02 g/mol
Exact Mass202.97
IUPAC Name2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol
SMILESOc1c[nH]c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C6H3Cl2N3O/c7-4-3-2(12)1-9-5(3)11-6(8)10-4/h1,12H,(H,9,10,11)
InChIKeyCJAKMNNMZAZOGO-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol?
The IUPAC name of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol (CID 131502833) is 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol.
What is the SMILES notation for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol?
The canonical SMILES for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol is Oc1c[nH]c2nc(Cl)nc(Cl)c12.
What is the InChIKey of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol?
The InChIKey is CJAKMNNMZAZOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3O/c7-4-3-2(12)1-9-5(3)11-6(8)10-4/h1,12H,(H,9,10,11).
What are the key properties of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol?
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol has a molecular weight of 204.02 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-ol is sourced from PubChem (CID 131502833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).