3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline

C10H3BrCl2F3N — CID 97181858

IUPAC3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(Cl)c(Br)c(Cl)c2c1
InChIInChI=1S/C10H3BrCl2F3N/c11-7-8(12)5-3-4(10(14,15)16)1-2-6(5)17-9(7)13/h1-3H
InChIKeyYJVICKLIDRBOHR-UHFFFAOYSA-N
MW344.95 g/mol
LogP5.32
Rot. Bonds

About 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline

3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline (PubChem CID 97181858) has the molecular formula C10H3BrCl2F3N and a molecular weight of 344.95 g/mol. Its IUPAC name is 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
PubChem CID97181858
Molecular FormulaC10H3BrCl2F3N
Molecular Weight344.95 g/mol
Exact Mass342.88
IUPAC Name3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(Cl)c(Br)c(Cl)c2c1
InChIInChI=1S/C10H3BrCl2F3N/c11-7-8(12)5-3-4(10(14,15)16)1-2-6(5)17-9(7)13/h1-3H
InChIKeyYJVICKLIDRBOHR-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.95
LogP ≤ 55.32
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

3-bromo-2,4-dichloro-6-iodoquinoline
CID 87158124
4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
CID 59320673
2-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid
CID 86645339
6-bromo-2,4-dichloro-3-(2,2,2-trifluoroethoxy)quinoline
CID 118022282
2-chloro-3-methoxy-6-(trifluoromethyl)quinoline
CID 117246626
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
1-chloro-7-(trifluoromethyl)naphthalen-2-amine
CID 18451487
CID 59355527
CID 59355527
1-bromo-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline
CID 59333286
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
4-bromo-6-(trifluoromethyl)isoquinoline
CID 84750895

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline?
The IUPAC name of 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline (CID 97181858) is 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline?
The canonical SMILES for 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nc(Cl)c(Br)c(Cl)c2c1.
What is the InChIKey of 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline?
The InChIKey is YJVICKLIDRBOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl2F3N/c11-7-8(12)5-3-4(10(14,15)16)1-2-6(5)17-9(7)13/h1-3H.
What are the key properties of 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline?
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline has a molecular weight of 344.95 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 97181858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).