6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one

C9H4BrClFNO — CID 114759586

IUPAC6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H4BrClFNO/c10-5-1-4-8(2-7(5)12)13-3-6(11)9(4)14/h1-3H,(H,13,14)
InChIKeyYRWAFSOYHLTGEX-UHFFFAOYSA-N
MW276.49 g/mol
LogP3.08
Rot. Bonds

About 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one

6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one (PubChem CID 114759586) has the molecular formula C9H4BrClFNO and a molecular weight of 276.49 g/mol. Its IUPAC name is 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
PubChem CID114759586
Molecular FormulaC9H4BrClFNO
Molecular Weight276.49 g/mol
Exact Mass274.91
IUPAC Name6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H4BrClFNO/c10-5-1-4-8(2-7(5)12)13-3-6(11)9(4)14/h1-3H,(H,13,14)
InChIKeyYRWAFSOYHLTGEX-UHFFFAOYSA-N
XLogP3.08
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one (CID 114759586) is 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one is O=c1c(Cl)c[nH]c2cc(F)c(Br)cc12.
What is the InChIKey of 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one?
The InChIKey is YRWAFSOYHLTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFNO/c10-5-1-4-8(2-7(5)12)13-3-6(11)9(4)14/h1-3H,(H,13,14).
What are the key properties of 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one?
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one has a molecular weight of 276.49 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 114759586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).