6-bromo-3-chlorocinnoline

C8H4BrClN2 — CID 163198532

IUPAC6-bromo-3-chlorocinnoline
SMILESClc1cc2cc(Br)ccc2nn1
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-8(10)12-11-7/h1-4H
InChIKeyZOMMBUIPBDXRQR-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 6-bromo-3-chlorocinnoline

6-bromo-3-chlorocinnoline (PubChem CID 163198532) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 6-bromo-3-chlorocinnoline.

Molecular Properties

Compound Name6-bromo-3-chlorocinnoline
PubChem CID163198532
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name6-bromo-3-chlorocinnoline
SMILESClc1cc2cc(Br)ccc2nn1
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-8(10)12-11-7/h1-4H
InChIKeyZOMMBUIPBDXRQR-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

6-bromo-2-chloroquinolin-3-amine
CID 114553732
6-bromo-3-chloroisoquinoline
CID 22607530
6-bromo-4-chloroquinolin-2-amine
CID 154853425
2-bromo-8-chlorophenazine
CID 119028483
6-bromo-2-chloroquinazoline;ethane
CID 143712376
2,6-dibromo-3-methylquinoline
CID 39423757
2,6-dibromo-3-iodoquinoline
CID 168869805
2,6-dibromonaphthalene
CID 640591
6-bromo-2-chloro-4-methylquinoline;ethane
CID 153393887
7-bromo-2-chloroquinoline;2-methylpropan-2-amine
CID 135311981
2-bromo-7-chlorophenanthrene
CID 177099004
azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
CID 160876314

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chlorocinnoline?
The IUPAC name of 6-bromo-3-chlorocinnoline (CID 163198532) is 6-bromo-3-chlorocinnoline.
What is the SMILES notation for 6-bromo-3-chlorocinnoline?
The canonical SMILES for 6-bromo-3-chlorocinnoline is Clc1cc2cc(Br)ccc2nn1.
What is the InChIKey of 6-bromo-3-chlorocinnoline?
The InChIKey is ZOMMBUIPBDXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-6-1-2-7-5(3-6)4-8(10)12-11-7/h1-4H.
What are the key properties of 6-bromo-3-chlorocinnoline?
6-bromo-3-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 6-bromo-3-chlorocinnoline is sourced from PubChem (CID 163198532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).