methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate

C11H7BrFNO3 — CID 46738864

IUPACmethyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(F)cc(Br)c2[nH]1
InChIInChI=1S/C11H7BrFNO3/c1-17-11(16)8-4-9(15)6-2-5(13)3-7(12)10(6)14-8/h2-4H,1H3,(H,14,15)
InChIKeyUTKGKDXIUWTKAR-UHFFFAOYSA-N
MW300.08 g/mol
LogP2.22
Rot. Bonds1

About methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate

methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 46738864) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
PubChem CID46738864
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Namemethyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(F)cc(Br)c2[nH]1
InChIInChI=1S/C11H7BrFNO3/c1-17-11(16)8-4-9(15)6-2-5(13)3-7(12)10(6)14-8/h2-4H,1H3,(H,14,15)
InChIKeyUTKGKDXIUWTKAR-UHFFFAOYSA-N
XLogP2.22
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
methyl 6,8-dimethoxy-4-oxo-1H-quinoline-2-carboxylate
CID 53419693
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
methyl 4-bromo-5-[(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylate
CID 10651857
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
CID 15166985
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate (CID 46738864) is methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2cc(F)cc(Br)c2[nH]1.
What is the InChIKey of methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is UTKGKDXIUWTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-17-11(16)8-4-9(15)6-2-5(13)3-7(12)10(6)14-8/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 300.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 46738864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).