6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid

C11H6BrF2NO3 — CID 129247771

IUPAC6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(OC(F)F)c(Br)cc2c1
InChIInChI=1S/C11H6BrF2NO3/c12-7-2-5-1-6(10(16)17)4-15-8(5)3-9(7)18-11(13)14/h1-4,11H,(H,16,17)
InChIKeyLDGRMSLNCZAASI-UHFFFAOYSA-N
MW318.07 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid

6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid (PubChem CID 129247771) has the molecular formula C11H6BrF2NO3 and a molecular weight of 318.07 g/mol. Its IUPAC name is 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
PubChem CID129247771
Molecular FormulaC11H6BrF2NO3
Molecular Weight318.07 g/mol
Exact Mass316.95
IUPAC Name6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(OC(F)F)c(Br)cc2c1
InChIInChI=1S/C11H6BrF2NO3/c12-7-2-5-1-6(10(16)17)4-15-8(5)3-9(7)18-11(13)14/h1-4,11H,(H,16,17)
InChIKeyLDGRMSLNCZAASI-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.07
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid (CID 129247771) is 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid is O=C(O)c1cnc2cc(OC(F)F)c(Br)cc2c1.
What is the InChIKey of 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid?
The InChIKey is LDGRMSLNCZAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NO3/c12-7-2-5-1-6(10(16)17)4-15-8(5)3-9(7)18-11(13)14/h1-4,11H,(H,16,17).
What are the key properties of 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid?
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid has a molecular weight of 318.07 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid is sourced from PubChem (CID 129247771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).