2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine

C7H4ClIN2 — CID 58228889

IUPAC2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine
SMILESClc1ncc2c(n1)C(I)=CC2
InChIInChI=1S/C7H4ClIN2/c8-7-10-3-4-1-2-5(9)6(4)11-7/h2-3H,1H2
InChIKeyDFZRTMUNRCVDRR-UHFFFAOYSA-N
MW278.48 g/mol
LogP2.46
Rot. Bonds

About 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine

2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine (PubChem CID 58228889) has the molecular formula C7H4ClIN2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine
PubChem CID58228889
Molecular FormulaC7H4ClIN2
Molecular Weight278.48 g/mol
Exact Mass277.91
IUPAC Name2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine
SMILESClc1ncc2c(n1)C(I)=CC2
InChIInChI=1S/C7H4ClIN2/c8-7-10-3-4-1-2-5(9)6(4)11-7/h2-3H,1H2
InChIKeyDFZRTMUNRCVDRR-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
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-7-iodo-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine (CID 58228889) is 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine is Clc1ncc2c(n1)C(I)=CC2.
What is the InChIKey of 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine?
The InChIKey is DFZRTMUNRCVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2/c8-7-10-3-4-1-2-5(9)6(4)11-7/h2-3H,1H2.
What are the key properties of 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine?
2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine has a molecular weight of 278.48 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-iodo-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58228889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).