6-bromo-2-chloroquinolin-3-amine

C9H6BrClN2 — CID 114553732

IUPAC6-bromo-2-chloroquinolin-3-amine
SMILESNc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C9H6BrClN2/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H,12H2
InChIKeyKZHDFAASEIJJKK-UHFFFAOYSA-N
MW257.52 g/mol
LogP3.23
Rot. Bonds

About 6-bromo-2-chloroquinolin-3-amine

6-bromo-2-chloroquinolin-3-amine (PubChem CID 114553732) has the molecular formula C9H6BrClN2 and a molecular weight of 257.52 g/mol. Its IUPAC name is 6-bromo-2-chloroquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-2-chloroquinolin-3-amine
PubChem CID114553732
Molecular FormulaC9H6BrClN2
Molecular Weight257.52 g/mol
Exact Mass255.94
IUPAC Name6-bromo-2-chloroquinolin-3-amine
SMILESNc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C9H6BrClN2/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H,12H2
InChIKeyKZHDFAASEIJJKK-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-chlorocinnoline
CID 163198532
2-chloro-6-methylsulfonylquinolin-3-amine
CID 114553273
6-bromo-4-chloroquinolin-2-amine
CID 154853425
1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol
CID 141093826
7-bromopyrimido[4,5-b]quinolin-2-amine
CID 84642075
6-bromo-2-chloroquinazoline;ethane
CID 143712376
2,6-dibromo-3-methylquinoline
CID 39423757
2,6-dibromo-3-iodoquinoline
CID 168869805
2-chloroquinolin-3-amine;quinolin-3-amine
CID 87752859
(6-bromoquinolin-2-yl)hydrazine
CID 53403025
2-bromo-8-chlorophenazine
CID 119028483
7-bromo-1-chloroisoquinolin-4-amine
CID 84709185

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinolin-3-amine?
The IUPAC name of 6-bromo-2-chloroquinolin-3-amine (CID 114553732) is 6-bromo-2-chloroquinolin-3-amine.
What is the SMILES notation for 6-bromo-2-chloroquinolin-3-amine?
The canonical SMILES for 6-bromo-2-chloroquinolin-3-amine is Nc1cc2cc(Br)ccc2nc1Cl.
What is the InChIKey of 6-bromo-2-chloroquinolin-3-amine?
The InChIKey is KZHDFAASEIJJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2/c10-6-1-2-8-5(3-6)4-7(12)9(11)13-8/h1-4H,12H2.
What are the key properties of 6-bromo-2-chloroquinolin-3-amine?
6-bromo-2-chloroquinolin-3-amine has a molecular weight of 257.52 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinolin-3-amine is sourced from PubChem (CID 114553732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).