8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline

C11H6BrClF3N — CID 171373219

IUPAC8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
SMILESCc1cnc2c(Br)ccc(C(F)(F)F)c2c1Cl
InChIInChI=1S/C11H6BrClF3N/c1-5-4-17-10-7(12)3-2-6(11(14,15)16)8(10)9(5)13/h2-4H,1H3
InChIKeyJZYHOEMXROWPNS-UHFFFAOYSA-N
MW324.53 g/mol
LogP4.98
Rot. Bonds

About 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline

8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline (PubChem CID 171373219) has the molecular formula C11H6BrClF3N and a molecular weight of 324.53 g/mol. Its IUPAC name is 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
PubChem CID171373219
Molecular FormulaC11H6BrClF3N
Molecular Weight324.53 g/mol
Exact Mass322.93
IUPAC Name8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
SMILESCc1cnc2c(Br)ccc(C(F)(F)F)c2c1Cl
InChIInChI=1S/C11H6BrClF3N/c1-5-4-17-10-7(12)3-2-6(11(14,15)16)8(10)9(5)13/h2-4H,1H3
InChIKeyJZYHOEMXROWPNS-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline?
The IUPAC name of 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline (CID 171373219) is 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline?
The canonical SMILES for 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline is Cc1cnc2c(Br)ccc(C(F)(F)F)c2c1Cl.
What is the InChIKey of 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline?
The InChIKey is JZYHOEMXROWPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3N/c1-5-4-17-10-7(12)3-2-6(11(14,15)16)8(10)9(5)13/h2-4H,1H3.
What are the key properties of 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline?
8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline has a molecular weight of 324.53 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 171373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).