7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one

C10H7BrF2N2O — CID 169110496

IUPAC7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2ccc(Br)c(C(F)F)c2[nH]c1=O
InChIInChI=1S/C10H7BrF2N2O/c1-4-10(16)15-8-6(14-4)3-2-5(11)7(8)9(12)13/h2-3,9H,1H3,(H,15,16)
InChIKeyFGRSOODNSMTMPY-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.93
Rot. Bonds1

About 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one

7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one (PubChem CID 169110496) has the molecular formula C10H7BrF2N2O and a molecular weight of 289.08 g/mol. Its IUPAC name is 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one
PubChem CID169110496
Molecular FormulaC10H7BrF2N2O
Molecular Weight289.08 g/mol
Exact Mass287.97
IUPAC Name7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2ccc(Br)c(C(F)F)c2[nH]c1=O
InChIInChI=1S/C10H7BrF2N2O/c1-4-10(16)15-8-6(14-4)3-2-5(11)7(8)9(12)13/h2-3,9H,1H3,(H,15,16)
InChIKeyFGRSOODNSMTMPY-UHFFFAOYSA-N
XLogP2.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one (CID 169110496) is 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one is Cc1nc2ccc(Br)c(C(F)F)c2[nH]c1=O.
What is the InChIKey of 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one?
The InChIKey is FGRSOODNSMTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O/c1-4-10(16)15-8-6(14-4)3-2-5(11)7(8)9(12)13/h2-3,9H,1H3,(H,15,16).
What are the key properties of 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one?
7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one has a molecular weight of 289.08 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-(difluoromethyl)-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 169110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).