methyl 8-fluoroquinoline-7-carboxylate

C11H8FNO2 — CID 169130767

IUPACmethyl 8-fluoroquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cccnc2c1F
InChIInChI=1S/C11H8FNO2/c1-15-11(14)8-5-4-7-3-2-6-13-10(7)9(8)12/h2-6H,1H3
InChIKeyDGJARLUKTSZBON-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.16
Rot. Bonds1

About methyl 8-fluoroquinoline-7-carboxylate

methyl 8-fluoroquinoline-7-carboxylate (PubChem CID 169130767) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is methyl 8-fluoroquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoroquinoline-7-carboxylate
PubChem CID169130767
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Namemethyl 8-fluoroquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cccnc2c1F
InChIInChI=1S/C11H8FNO2/c1-15-11(14)8-5-4-7-3-2-6-13-10(7)9(8)12/h2-6H,1H3
InChIKeyDGJARLUKTSZBON-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 5-fluoroquinoline-6-carboxylate
CID 118665149
methyl 8-methylsulfanylquinoline-5-carboxylate
CID 14874964
dimethyl (E)-but-2-enedioate;1,10-phenanthroline;platinum
CID 10896613
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 4-(7-bromoquinoline-8-carbonyl)benzoate
CID 175153769
methyl 2-chloro-3,8-difluoro-4-methoxyquinoline-7-carboxylate
CID 169130704
bis(1,10-phenanthroline);ruthenium
CID 15001085
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoroquinoline-7-carboxylate?
The IUPAC name of methyl 8-fluoroquinoline-7-carboxylate (CID 169130767) is methyl 8-fluoroquinoline-7-carboxylate.
What is the SMILES notation for methyl 8-fluoroquinoline-7-carboxylate?
The canonical SMILES for methyl 8-fluoroquinoline-7-carboxylate is COC(=O)c1ccc2cccnc2c1F.
What is the InChIKey of methyl 8-fluoroquinoline-7-carboxylate?
The InChIKey is DGJARLUKTSZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-15-11(14)8-5-4-7-3-2-6-13-10(7)9(8)12/h2-6H,1H3.
What are the key properties of methyl 8-fluoroquinoline-7-carboxylate?
methyl 8-fluoroquinoline-7-carboxylate has a molecular weight of 205.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoroquinoline-7-carboxylate is sourced from PubChem (CID 169130767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).