4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine

C8H7ClIN3 — CID 118992935

IUPAC4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(I)cn(C)c2n1
InChIInChI=1S/C8H7ClIN3/c1-4-11-7(9)6-5(10)3-13(2)8(6)12-4/h3H,1-2H3
InChIKeyLUTVHBOBKKEWGM-UHFFFAOYSA-N
MW307.52 g/mol
LogP2.53
Rot. Bonds

About 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine

4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 118992935) has the molecular formula C8H7ClIN3 and a molecular weight of 307.52 g/mol. Its IUPAC name is 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID118992935
Molecular FormulaC8H7ClIN3
Molecular Weight307.52 g/mol
Exact Mass306.94
IUPAC Name4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(I)cn(C)c2n1
InChIInChI=1S/C8H7ClIN3/c1-4-11-7(9)6-5(10)3-13(2)8(6)12-4/h3H,1-2H3
InChIKeyLUTVHBOBKKEWGM-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 52.53
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 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine (CID 118992935) is 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2c(I)cn(C)c2n1.
What is the InChIKey of 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LUTVHBOBKKEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClIN3/c1-4-11-7(9)6-5(10)3-13(2)8(6)12-4/h3H,1-2H3.
What are the key properties of 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 307.52 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2,7-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118992935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).