2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole

C12H9Cl2N3 — CID 79632513

IUPAC2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
SMILESClc1ncc(Cl)c(N2Cc3ccccc3C2)n1
InChIInChI=1S/C12H9Cl2N3/c13-10-5-15-12(14)16-11(10)17-6-8-3-1-2-4-9(8)7-17/h1-5H,6-7H2
InChIKeyHWBJQFDXHUZEFB-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.30
Rot. Bonds1

About 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole

2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole (PubChem CID 79632513) has the molecular formula C12H9Cl2N3 and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
PubChem CID79632513
Molecular FormulaC12H9Cl2N3
Molecular Weight266.13 g/mol
Exact Mass265.02
IUPAC Name2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
SMILESClc1ncc(Cl)c(N2Cc3ccccc3C2)n1
InChIInChI=1S/C12H9Cl2N3/c13-10-5-15-12(14)16-11(10)17-6-8-3-1-2-4-9(8)7-17/h1-5H,6-7H2
InChIKeyHWBJQFDXHUZEFB-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole (CID 79632513) is 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole is Clc1ncc(Cl)c(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole?
The InChIKey is HWBJQFDXHUZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3/c13-10-5-15-12(14)16-11(10)17-6-8-3-1-2-4-9(8)7-17/h1-5H,6-7H2.
What are the key properties of 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole?
2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole has a molecular weight of 266.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 79632513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).