4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine

C13H10ClIN2 — CID 66292663

IUPAC4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine
SMILESClc1nc(C2Cc3ccccc3C2)ncc1I
InChIInChI=1S/C13H10ClIN2/c14-12-11(15)7-16-13(17-12)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2
InChIKeyHJZQEBMPIMDVCL-UHFFFAOYSA-N
MW356.59 g/mol
LogP3.62
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine

4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine (PubChem CID 66292663) has the molecular formula C13H10ClIN2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine
PubChem CID66292663
Molecular FormulaC13H10ClIN2
Molecular Weight356.59 g/mol
Exact Mass355.96
IUPAC Name4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine
SMILESClc1nc(C2Cc3ccccc3C2)ncc1I
InChIInChI=1S/C13H10ClIN2/c14-12-11(15)7-16-13(17-12)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2
InChIKeyHJZQEBMPIMDVCL-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 53.62
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 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine (CID 66292663) is 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine is Clc1nc(C2Cc3ccccc3C2)ncc1I.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine?
The InChIKey is HJZQEBMPIMDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2/c14-12-11(15)7-16-13(17-12)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine?
4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine has a molecular weight of 356.59 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-5-iodopyrimidine is sourced from PubChem (CID 66292663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).