8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline

C13H6BrCl2N3 — CID 112618090

IUPAC8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
SMILESClc1nc(-c2ccc(Cl)c3cccnc23)ncc1Br
InChIInChI=1S/C13H6BrCl2N3/c14-9-6-18-13(19-12(9)16)8-3-4-10(15)7-2-1-5-17-11(7)8/h1-6H
InChIKeyLZENOHIXPIJEHC-UHFFFAOYSA-N
MW355.02 g/mol
LogP4.76
Rot. Bonds1

About 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline

8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline (PubChem CID 112618090) has the molecular formula C13H6BrCl2N3 and a molecular weight of 355.02 g/mol. Its IUPAC name is 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline.

Molecular Properties

Compound Name8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
PubChem CID112618090
Molecular FormulaC13H6BrCl2N3
Molecular Weight355.02 g/mol
Exact Mass352.91
IUPAC Name8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
SMILESClc1nc(-c2ccc(Cl)c3cccnc23)ncc1Br
InChIInChI=1S/C13H6BrCl2N3/c14-9-6-18-13(19-12(9)16)8-3-4-10(15)7-2-1-5-17-11(7)8/h1-6H
InChIKeyLZENOHIXPIJEHC-UHFFFAOYSA-N
XLogP4.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.02
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
CID 115959841
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 115960312
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
CID 80866833
2-(5-chloroquinolin-8-yl)-1H-imidazole-5-carboxylic acid
CID 112618431
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
CID 172791001
CID 172791001
CID 6367063
CID 6367063

Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline?
The IUPAC name of 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline (CID 112618090) is 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline.
What is the SMILES notation for 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline?
The canonical SMILES for 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline is Clc1nc(-c2ccc(Cl)c3cccnc23)ncc1Br.
What is the InChIKey of 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline?
The InChIKey is LZENOHIXPIJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2N3/c14-9-6-18-13(19-12(9)16)8-3-4-10(15)7-2-1-5-17-11(7)8/h1-6H.
What are the key properties of 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline?
8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline has a molecular weight of 355.02 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline is sourced from PubChem (CID 112618090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).