7-bromo-4-chlorocinnoline

C8H4BrClN2 — CID 115045101

IUPAC7-bromo-4-chlorocinnoline
SMILESClc1cnnc2cc(Br)ccc12
InChIInChI=1S/C8H4BrClN2/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H
InChIKeyMOFADOQZRGDCGG-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 7-bromo-4-chlorocinnoline

7-bromo-4-chlorocinnoline (PubChem CID 115045101) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 7-bromo-4-chlorocinnoline.

Molecular Properties

Compound Name7-bromo-4-chlorocinnoline
PubChem CID115045101
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name7-bromo-4-chlorocinnoline
SMILESClc1cnnc2cc(Br)ccc12
InChIInChI=1S/C8H4BrClN2/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H
InChIKeyMOFADOQZRGDCGG-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chlorocinnoline?
The IUPAC name of 7-bromo-4-chlorocinnoline (CID 115045101) is 7-bromo-4-chlorocinnoline.
What is the SMILES notation for 7-bromo-4-chlorocinnoline?
The canonical SMILES for 7-bromo-4-chlorocinnoline is Clc1cnnc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-chlorocinnoline?
The InChIKey is MOFADOQZRGDCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H.
What are the key properties of 7-bromo-4-chlorocinnoline?
7-bromo-4-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 7-bromo-4-chlorocinnoline is sourced from PubChem (CID 115045101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).