8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline

C9H8BrCl2N — CID 131053038

IUPAC8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)C(Cl)CCN2
InChIInChI=1S/C9H8BrCl2N/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4,8,13H,1-2H2
InChIKeyMNYRRDRQCXPIBX-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.20
Rot. Bonds

About 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline

8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline (PubChem CID 131053038) has the molecular formula C9H8BrCl2N and a molecular weight of 280.98 g/mol. Its IUPAC name is 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
PubChem CID131053038
Molecular FormulaC9H8BrCl2N
Molecular Weight280.98 g/mol
Exact Mass278.92
IUPAC Name8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)C(Cl)CCN2
InChIInChI=1S/C9H8BrCl2N/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4,8,13H,1-2H2
InChIKeyMNYRRDRQCXPIBX-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.98
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,8-dichloro-6-iodo-1,2,3,4-tetrahydroquinoline
CID 130820660
4,7-dichloro-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 130787900
4-(4-bromophenyl)-6-chloro-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 90760565
(4R)-6-bromo-8-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 124676937
8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 132589464
cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
CID 162764573
(1S)-1,4,6-trichloro-2,3-dihydro-1H-indene
CID 94828375
8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline
CID 132589608
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
8-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130934873
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline (CID 131053038) is 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline is Clc1cc(Br)c2c(c1)C(Cl)CCN2.
What is the InChIKey of 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is MNYRRDRQCXPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h3-4,8,13H,1-2H2.
What are the key properties of 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline?
8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 280.98 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 131053038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).