5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole

C13H10BrCl2N3 — CID 66312211

IUPAC5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(-c3nc(Cl)c(Br)c(Cl)n3)ccc21
InChIInChI=1S/C13H10BrCl2N3/c1-19-5-4-7-6-8(2-3-9(7)19)13-17-11(15)10(14)12(16)18-13/h2-3,6H,4-5H2,1H3
InChIKeyBGWHQTXXLAHWMY-UHFFFAOYSA-N
MW359.05 g/mol
LogP4.21
Rot. Bonds1

About 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole

5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole (PubChem CID 66312211) has the molecular formula C13H10BrCl2N3 and a molecular weight of 359.05 g/mol. Its IUPAC name is 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
PubChem CID66312211
Molecular FormulaC13H10BrCl2N3
Molecular Weight359.05 g/mol
Exact Mass356.94
IUPAC Name5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
SMILESCN1CCc2cc(-c3nc(Cl)c(Br)c(Cl)n3)ccc21
InChIInChI=1S/C13H10BrCl2N3/c1-19-5-4-7-6-8(2-3-9(7)19)13-17-11(15)10(14)12(16)18-13/h2-3,6H,4-5H2,1H3
InChIKeyBGWHQTXXLAHWMY-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The IUPAC name of 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole (CID 66312211) is 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole is CN1CCc2cc(-c3nc(Cl)c(Br)c(Cl)n3)ccc21.
What is the InChIKey of 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
The InChIKey is BGWHQTXXLAHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3/c1-19-5-4-7-6-8(2-3-9(7)19)13-17-11(15)10(14)12(16)18-13/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole?
5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole has a molecular weight of 359.05 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 66312211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).