3-bromo-7-chlorocinnoline

C8H4BrClN2 — CID 53423850

IUPAC3-bromo-7-chlorocinnoline
SMILESClc1ccc2cc(Br)nnc2c1
InChIInChI=1S/C8H4BrClN2/c9-8-3-5-1-2-6(10)4-7(5)11-12-8/h1-4H
InChIKeyGRMWYNMWEXGNIW-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 3-bromo-7-chlorocinnoline

3-bromo-7-chlorocinnoline (PubChem CID 53423850) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 3-bromo-7-chlorocinnoline.

Molecular Properties

Compound Name3-bromo-7-chlorocinnoline
PubChem CID53423850
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name3-bromo-7-chlorocinnoline
SMILESClc1ccc2cc(Br)nnc2c1
InChIInChI=1S/C8H4BrClN2/c9-8-3-5-1-2-6(10)4-7(5)11-12-8/h1-4H
InChIKeyGRMWYNMWEXGNIW-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chlorocinnolin-3-yl)ethanamine
CID 143140000
7-chlorocinnoline
CID 21449408
3-bromo-7-chloro-2-methylquinoline
CID 151670813
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
2,7-dichloro-3-(dichloromethyl)quinoline
CID 15142733
2-bromo-8-chlorophenazine
CID 119028483
2-(bromomethyl)-7-chloroquinoline
CID 10244160
7-chloro-3-methylquinoline
CID 23510375
3,10-dichloroquinolino[2,3-c]cinnoline
CID 134997494
7-chloro-2-methylquinolin-3-amine
CID 72942962
azane;4-chlorocyclopropa[b]indole
CID 174412946
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chlorocinnoline?
The IUPAC name of 3-bromo-7-chlorocinnoline (CID 53423850) is 3-bromo-7-chlorocinnoline.
What is the SMILES notation for 3-bromo-7-chlorocinnoline?
The canonical SMILES for 3-bromo-7-chlorocinnoline is Clc1ccc2cc(Br)nnc2c1.
What is the InChIKey of 3-bromo-7-chlorocinnoline?
The InChIKey is GRMWYNMWEXGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-8-3-5-1-2-6(10)4-7(5)11-12-8/h1-4H.
What are the key properties of 3-bromo-7-chlorocinnoline?
3-bromo-7-chlorocinnoline has a molecular weight of 243.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chlorocinnoline is sourced from PubChem (CID 53423850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).