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

C6H3ClIN3 — CID 14809281

IUPAC4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]cc(I)c12
InChIInChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKeyCBWBJFJMNBPWAL-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.22
Rot. Bonds

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

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 14809281) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID14809281
Molecular FormulaC6H3ClIN3
Molecular Weight279.47 g/mol
Exact Mass278.91
IUPAC Name4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]cc(I)c12
InChIInChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKeyCBWBJFJMNBPWAL-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CID 14809281) is 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is Clc1ncnc2[nH]cc(I)c12.
What is the InChIKey of 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CBWBJFJMNBPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11).
What are the key properties of 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 279.47 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 14809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).