6-bromo-2-chloro-4-(difluoromethyl)quinoline

C10H5BrClF2N — CID 112757570

IUPAC6-bromo-2-chloro-4-(difluoromethyl)quinoline
SMILESFC(F)c1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H5BrClF2N/c11-5-1-2-8-6(3-5)7(10(13)14)4-9(12)15-8/h1-4,10H
InChIKeyWVTAXNBJJWEJJC-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.59
Rot. Bonds1

About 6-bromo-2-chloro-4-(difluoromethyl)quinoline

6-bromo-2-chloro-4-(difluoromethyl)quinoline (PubChem CID 112757570) has the molecular formula C10H5BrClF2N and a molecular weight of 292.51 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-(difluoromethyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-4-(difluoromethyl)quinoline
PubChem CID112757570
Molecular FormulaC10H5BrClF2N
Molecular Weight292.51 g/mol
Exact Mass290.93
IUPAC Name6-bromo-2-chloro-4-(difluoromethyl)quinoline
SMILESFC(F)c1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H5BrClF2N/c11-5-1-2-8-6(3-5)7(10(13)14)4-9(12)15-8/h1-4,10H
InChIKeyWVTAXNBJJWEJJC-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.59
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

6-bromo-2-chloro-4-methylquinoline;ethane
CID 153393887
6-bromo-N-[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]-2-methylquinazolin-4-amine
CID 166541195
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
6-bromo-4-chloroquinolin-2-amine
CID 154853425
7-bromo-2-chloro-4-methylquinoline
CID 14570303
6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
CID 87438206
6-bromo-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]quinazolin-4-amine
CID 175538476
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-(difluoromethyl)quinoline?
The IUPAC name of 6-bromo-2-chloro-4-(difluoromethyl)quinoline (CID 112757570) is 6-bromo-2-chloro-4-(difluoromethyl)quinoline.
What is the SMILES notation for 6-bromo-2-chloro-4-(difluoromethyl)quinoline?
The canonical SMILES for 6-bromo-2-chloro-4-(difluoromethyl)quinoline is FC(F)c1cc(Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-chloro-4-(difluoromethyl)quinoline?
The InChIKey is WVTAXNBJJWEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClF2N/c11-5-1-2-8-6(3-5)7(10(13)14)4-9(12)15-8/h1-4,10H.
What are the key properties of 6-bromo-2-chloro-4-(difluoromethyl)quinoline?
6-bromo-2-chloro-4-(difluoromethyl)quinoline has a molecular weight of 292.51 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-(difluoromethyl)quinoline is sourced from PubChem (CID 112757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).