2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

C6H2Cl2IN3 — CID 57415902

IUPAC2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(I)c[nH]c2n1
InChIInChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChIKeyRIRSSBIXHXMTLS-UHFFFAOYSA-N
MW313.91 g/mol
LogP2.87
Rot. Bonds

About 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 57415902) has the molecular formula C6H2Cl2IN3 and a molecular weight of 313.91 g/mol. Its IUPAC name is 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID57415902
Molecular FormulaC6H2Cl2IN3
Molecular Weight313.91 g/mol
Exact Mass312.87
IUPAC Name2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(I)c[nH]c2n1
InChIInChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12)
InChIKeyRIRSSBIXHXMTLS-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CID 57415902) is 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2c(I)c[nH]c2n1.
What is the InChIKey of 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RIRSSBIXHXMTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2IN3/c7-4-3-2(9)1-10-5(3)12-6(8)11-4/h1H,(H,10,11,12).
What are the key properties of 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 313.91 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 57415902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).