4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine

C10H10ClIN2O — CID 66294087

IUPAC4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
SMILESClc1nc(C2CC3CCC2O3)ncc1I
InChIInChI=1S/C10H10ClIN2O/c11-9-7(12)4-13-10(14-9)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2
InChIKeyQJRSOMSTSOGKFA-UHFFFAOYSA-N
MW336.56 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine

4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine (PubChem CID 66294087) has the molecular formula C10H10ClIN2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
PubChem CID66294087
Molecular FormulaC10H10ClIN2O
Molecular Weight336.56 g/mol
Exact Mass335.95
IUPAC Name4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine
SMILESClc1nc(C2CC3CCC2O3)ncc1I
InChIInChI=1S/C10H10ClIN2O/c11-9-7(12)4-13-10(14-9)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2
InChIKeyQJRSOMSTSOGKFA-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 52.77
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-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine (CID 66294087) is 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine is Clc1nc(C2CC3CCC2O3)ncc1I.
What is the InChIKey of 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
The InChIKey is QJRSOMSTSOGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2O/c11-9-7(12)4-13-10(14-9)6-3-5-1-2-8(6)15-5/h4-6,8H,1-3H2.
What are the key properties of 4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine?
4-chloro-5-iodo-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine has a molecular weight of 336.56 g/mol, XLogP of 2.77, 1 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-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine is sourced from PubChem (CID 66294087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).