2-iodopyrimidine

C4H3IN2 — CID 11356200

IUPAC2-iodopyrimidine
SMILESIc1ncccn1
InChIInChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H
InChIKeyAXDGIPMYJALRKV-UHFFFAOYSA-N
MW205.99 g/mol
LogP1.08
Rot. Bonds

About 2-iodopyrimidine

2-iodopyrimidine (PubChem CID 11356200) has the molecular formula C4H3IN2 and a molecular weight of 205.99 g/mol. Its IUPAC name is 2-iodopyrimidine.

Molecular Properties

Compound Name2-iodopyrimidine
PubChem CID11356200
Molecular FormulaC4H3IN2
Molecular Weight205.99 g/mol
Exact Mass205.93
IUPAC Name2-iodopyrimidine
SMILESIc1ncccn1
InChIInChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H
InChIKeyAXDGIPMYJALRKV-UHFFFAOYSA-N
XLogP1.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 51.08
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-iodopyrimidine?
The IUPAC name of 2-iodopyrimidine (CID 11356200) is 2-iodopyrimidine.
What is the SMILES notation for 2-iodopyrimidine?
The canonical SMILES for 2-iodopyrimidine is Ic1ncccn1.
What is the InChIKey of 2-iodopyrimidine?
The InChIKey is AXDGIPMYJALRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H.
What are the key properties of 2-iodopyrimidine?
2-iodopyrimidine has a molecular weight of 205.99 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopyrimidine is sourced from PubChem (CID 11356200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).