2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid

C10H4BrF3N2O2 — CID 22341067

IUPAC2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Br)c(C(F)(F)F)nc2c1
InChIInChI=1S/C10H4BrF3N2O2/c11-8-7(10(12,13)14)15-6-3-4(9(17)18)1-2-5(6)16-8/h1-3H,(H,17,18)
InChIKeyNYZFJZYFYPGJMW-UHFFFAOYSA-N
MW321.05 g/mol
LogP3.11
Rot. Bonds1

About 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid

2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid (PubChem CID 22341067) has the molecular formula C10H4BrF3N2O2 and a molecular weight of 321.05 g/mol. Its IUPAC name is 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid
PubChem CID22341067
Molecular FormulaC10H4BrF3N2O2
Molecular Weight321.05 g/mol
Exact Mass319.94
IUPAC Name2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Br)c(C(F)(F)F)nc2c1
InChIInChI=1S/C10H4BrF3N2O2/c11-8-7(10(12,13)14)15-6-3-4(9(17)18)1-2-5(6)16-8/h1-3H,(H,17,18)
InChIKeyNYZFJZYFYPGJMW-UHFFFAOYSA-N
XLogP3.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
2,3-bis(bromomethyl)quinoxaline-6-carboxylic acid
CID 118012642
6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid
CID 87069254
tert-butyl 3-chloro-2-(trifluoromethyl)quinoxaline-6-carboxylate;bis(3-chloro-2-(trifluoromethyl)quinoxaline-6-carboxylic acid);3,4-diaminobenzoic acid
CID 161162004
methyl 3-methylsulfonyl-2-(trifluoromethyl)quinoxaline-6-carboxylate
CID 20821271
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
6-bromo-3-ethyl-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160910807
quinoxaline-6-carboxylic acid chloride
CID 86626600
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
2-(1,1,2,2,2-pentafluoroethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81357728
2-amino-3-bromoquinoline-6-carboxylic acid
CID 156830315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid (CID 22341067) is 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(Br)c(C(F)(F)F)nc2c1.
What is the InChIKey of 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid?
The InChIKey is NYZFJZYFYPGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF3N2O2/c11-8-7(10(12,13)14)15-6-3-4(9(17)18)1-2-5(6)16-8/h1-3H,(H,17,18).
What are the key properties of 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid?
2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid has a molecular weight of 321.05 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 22341067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).