4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline

C9H8BrClFN — CID 130934699

IUPAC4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1Cl)C(Br)CCN2
InChIInChI=1S/C9H8BrClFN/c10-5-3-4-13-7-2-1-6(12)9(11)8(5)7/h1-2,5,13H,3-4H2
InChIKeyKIZWZXJXYYTWHL-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.73
Rot. Bonds

About 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline

4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 130934699) has the molecular formula C9H8BrClFN and a molecular weight of 264.52 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID130934699
Molecular FormulaC9H8BrClFN
Molecular Weight264.52 g/mol
Exact Mass262.95
IUPAC Name4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1Cl)C(Br)CCN2
InChIInChI=1S/C9H8BrClFN/c10-5-3-4-13-7-2-1-6(12)9(11)8(5)7/h1-2,5,13H,3-4H2
InChIKeyKIZWZXJXYYTWHL-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5,7-dichloro-1,2,3,4-tetrahydroquinoline
CID 130952502
6-bromo-5-chloro-1,2,3,4-tetrahydroquinolin-4-amine
CID 130935491
5,6-dichloro-1,2,3,4-tetrahydroquinoline-4-thiol
CID 130820585
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 105463734
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904
(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
CID 56590209
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline (CID 130934699) is 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline is Fc1ccc2c(c1Cl)C(Br)CCN2.
What is the InChIKey of 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is KIZWZXJXYYTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c10-5-3-4-13-7-2-1-6(12)9(11)8(5)7/h1-2,5,13H,3-4H2.
What are the key properties of 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 264.52 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).