fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate

C10H5BrFNO3 — CID 142605157

IUPACfluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OF)c1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H5BrFNO3/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(15)16-12/h1-4H,(H,13,14)
InChIKeyDBJDKTDVIKHPSS-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.33
Rot. Bonds1

About fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate

fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 142605157) has the molecular formula C10H5BrFNO3 and a molecular weight of 286.06 g/mol. Its IUPAC name is fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namefluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
PubChem CID142605157
Molecular FormulaC10H5BrFNO3
Molecular Weight286.06 g/mol
Exact Mass284.94
IUPAC Namefluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OF)c1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H5BrFNO3/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(15)16-12/h1-4H,(H,13,14)
InChIKeyDBJDKTDVIKHPSS-UHFFFAOYSA-N
XLogP2.33
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
7-bromo-1H-indole-3-carbothioamide
CID 171775732
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
(3E)-7-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028251
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639

Frequently Asked Questions

What is the IUPAC name of fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate (CID 142605157) is fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate is O=C(OF)c1c[nH]c2c(Br)cccc2c1=O.
What is the InChIKey of fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is DBJDKTDVIKHPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO3/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(15)16-12/h1-4H,(H,13,14).
What are the key properties of fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate?
fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 286.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 142605157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).