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

C7H4Cl2IN3 — CID 89460082

IUPAC2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(I)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H4Cl2IN3/c1-13-2-3(10)4-5(8)11-7(9)12-6(4)13/h2H,1H3
InChIKeyQYZQYJPDWDSARB-UHFFFAOYSA-N
MW327.94 g/mol
LogP2.88
Rot. Bonds

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

2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 89460082) has the molecular formula C7H4Cl2IN3 and a molecular weight of 327.94 g/mol. Its IUPAC name is 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID89460082
Molecular FormulaC7H4Cl2IN3
Molecular Weight327.94 g/mol
Exact Mass326.88
IUPAC Name2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(I)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H4Cl2IN3/c1-13-2-3(10)4-5(8)11-7(9)12-6(4)13/h2H,1H3
InChIKeyQYZQYJPDWDSARB-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.94
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine (CID 89460082) is 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine is Cn1cc(I)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is QYZQYJPDWDSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2IN3/c1-13-2-3(10)4-5(8)11-7(9)12-6(4)13/h2H,1H3.
What are the key properties of 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine?
2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 327.94 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 89460082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).