7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one

C10H7BrFNO — CID 169110544

IUPAC7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2c(F)cc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H7BrFNO/c1-5-2-7-8(12)3-6(11)4-9(7)13-10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyMLMDTJCHHJRXAJ-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.74
Rot. Bonds

About 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one

7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one (PubChem CID 169110544) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one
PubChem CID169110544
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2c(F)cc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H7BrFNO/c1-5-2-7-8(12)3-6(11)4-9(7)13-10(5)14/h2-4H,1H3,(H,13,14)
InChIKeyMLMDTJCHHJRXAJ-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one?
The IUPAC name of 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one (CID 169110544) is 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one is Cc1cc2c(F)cc(Br)cc2[nH]c1=O.
What is the InChIKey of 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one?
The InChIKey is MLMDTJCHHJRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-5-2-7-8(12)3-6(11)4-9(7)13-10(5)14/h2-4H,1H3,(H,13,14).
What are the key properties of 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one?
7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one has a molecular weight of 256.07 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 169110544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).