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

C6H3ClIN3 — CID 52911245

IUPAC2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2c(I)c[nH]c2n1
InChIInChI=1S/C6H3ClIN3/c7-6-10-1-3-4(8)2-9-5(3)11-6/h1-2H,(H,9,10,11)
InChIKeyCPGBAXNIILKLJF-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.22
Rot. Bonds

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

2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 52911245) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID52911245
Molecular FormulaC6H3ClIN3
Molecular Weight279.47 g/mol
Exact Mass278.91
IUPAC Name2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncc2c(I)c[nH]c2n1
InChIInChI=1S/C6H3ClIN3/c7-6-10-1-3-4(8)2-9-5(3)11-6/h1-2H,(H,9,10,11)
InChIKeyCPGBAXNIILKLJF-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 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CID 52911245) is 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is Clc1ncc2c(I)c[nH]c2n1.
What is the InChIKey of 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CPGBAXNIILKLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-6-10-1-3-4(8)2-9-5(3)11-6/h1-2H,(H,9,10,11).
What are the key properties of 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine?
2-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 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 52911245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).