4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline

C9H8BrCl2N — CID 130952502

IUPAC4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Cl)c2c(c1)NCCC2Br
InChIInChI=1S/C9H8BrCl2N/c10-6-1-2-13-8-4-5(11)3-7(12)9(6)8/h3-4,6,13H,1-2H2
InChIKeyWLBLEXYKSNVLFX-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.24
Rot. Bonds

About 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline

4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline (PubChem CID 130952502) has the molecular formula C9H8BrCl2N and a molecular weight of 280.98 g/mol. Its IUPAC name is 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline
PubChem CID130952502
Molecular FormulaC9H8BrCl2N
Molecular Weight280.98 g/mol
Exact Mass278.92
IUPAC Name4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Cl)c2c(c1)NCCC2Br
InChIInChI=1S/C9H8BrCl2N/c10-6-1-2-13-8-4-5(11)3-7(12)9(6)8/h3-4,6,13H,1-2H2
InChIKeyWLBLEXYKSNVLFX-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
CID 130934699
7-chloro-2,9-dimethyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82230617
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
7,8-dichloro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014766
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196064
5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride
CID 53418200
3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
CID 131282881
dimethyl (2S,4S)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylate
CID 15168461
8-bromo-4,6-dichloro-1,2,3,4-tetrahydroquinoline
CID 131053038
7,9-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11160564
2-(4,6-dichloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
CID 23354420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline (CID 130952502) is 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline is Clc1cc(Cl)c2c(c1)NCCC2Br.
What is the InChIKey of 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is WLBLEXYKSNVLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N/c10-6-1-2-13-8-4-5(11)3-7(12)9(6)8/h3-4,6,13H,1-2H2.
What are the key properties of 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 280.98 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130952502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).