7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline

C15H7BrCl2FN — CID 142794408

IUPAC7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline
SMILESFc1cc(Br)cc2nc(Cl)c(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C15H7BrCl2FN/c16-9-6-10(19)13-11(7-9)20-15(18)12(14(13)17)8-4-2-1-3-5-8/h1-7H
InChIKeyPJJOOMPXBADARI-UHFFFAOYSA-N
MW371.04 g/mol
LogP6.11
Rot. Bonds1

About 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline

7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline (PubChem CID 142794408) has the molecular formula C15H7BrCl2FN and a molecular weight of 371.04 g/mol. Its IUPAC name is 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline.

Molecular Properties

Compound Name7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline
PubChem CID142794408
Molecular FormulaC15H7BrCl2FN
Molecular Weight371.04 g/mol
Exact Mass368.91
IUPAC Name7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline
SMILESFc1cc(Br)cc2nc(Cl)c(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C15H7BrCl2FN/c16-9-6-10(19)13-11(7-9)20-15(18)12(14(13)17)8-4-2-1-3-5-8/h1-7H
InChIKeyPJJOOMPXBADARI-UHFFFAOYSA-N
XLogP6.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.04
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
3-chloro-5-fluoro-4-phenylpyridine
CID 130935796
1,2,3-trichloro-5-fluoro-4,6-diphenylbenzene
CID 175475336
6-bromo-8-fluoro-2-phenylquinolin-4-amine
CID 55045457
4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
CID 65430083
2,3-dichloro-6-phenylquinoxaline
CID 97036461

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline?
The IUPAC name of 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline (CID 142794408) is 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline.
What is the SMILES notation for 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline?
The canonical SMILES for 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline is Fc1cc(Br)cc2nc(Cl)c(-c3ccccc3)c(Cl)c12.
What is the InChIKey of 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline?
The InChIKey is PJJOOMPXBADARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrCl2FN/c16-9-6-10(19)13-11(7-9)20-15(18)12(14(13)17)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline?
7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline has a molecular weight of 371.04 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline is sourced from PubChem (CID 142794408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).