methyl 6-bromo-8-fluoroquinoline-3-carboxylate

C11H7BrFNO2 — CID 138106125

IUPACmethyl 6-bromo-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(F)cc(Br)cc2c1
InChIInChI=1S/C11H7BrFNO2/c1-16-11(15)7-2-6-3-8(12)4-9(13)10(6)14-5-7/h2-5H,1H3
InChIKeyQUZCBYABJIIIGQ-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.92
Rot. Bonds1

About methyl 6-bromo-8-fluoroquinoline-3-carboxylate

methyl 6-bromo-8-fluoroquinoline-3-carboxylate (PubChem CID 138106125) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is methyl 6-bromo-8-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-8-fluoroquinoline-3-carboxylate
PubChem CID138106125
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Namemethyl 6-bromo-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(F)cc(Br)cc2c1
InChIInChI=1S/C11H7BrFNO2/c1-16-11(15)7-2-6-3-8(12)4-9(13)10(6)14-5-7/h2-5H,1H3
InChIKeyQUZCBYABJIIIGQ-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate;methyl 8-fluoroquinoline-6-carboxylate
CID 157232582
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
CID 118665111
methyl 5-fluoro-6-isocyanopyridine-3-carboxylate
CID 171417527
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
CID 129247510
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 3-bromoquinoline-7-carboxylate
CID 117100290

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-8-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 6-bromo-8-fluoroquinoline-3-carboxylate (CID 138106125) is methyl 6-bromo-8-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-bromo-8-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 6-bromo-8-fluoroquinoline-3-carboxylate is COC(=O)c1cnc2c(F)cc(Br)cc2c1.
What is the InChIKey of methyl 6-bromo-8-fluoroquinoline-3-carboxylate?
The InChIKey is QUZCBYABJIIIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c1-16-11(15)7-2-6-3-8(12)4-9(13)10(6)14-5-7/h2-5H,1H3.
What are the key properties of methyl 6-bromo-8-fluoroquinoline-3-carboxylate?
methyl 6-bromo-8-fluoroquinoline-3-carboxylate has a molecular weight of 284.08 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-8-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 138106125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).