2-iodo-3-(trifluoromethyl)quinoxalin-6-ol

C9H4F3IN2O — CID 148988087

IUPAC2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
SMILESOc1ccc2nc(I)c(C(F)(F)F)nc2c1
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)7-8(13)15-5-2-1-4(16)3-6(5)14-7/h1-3,16H
InChIKeyPXDUZPZQAJVHRB-UHFFFAOYSA-N
MW340.04 g/mol
LogP2.96
Rot. Bonds

About 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol

2-iodo-3-(trifluoromethyl)quinoxalin-6-ol (PubChem CID 148988087) has the molecular formula C9H4F3IN2O and a molecular weight of 340.04 g/mol. Its IUPAC name is 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol.

Molecular Properties

Compound Name2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
PubChem CID148988087
Molecular FormulaC9H4F3IN2O
Molecular Weight340.04 g/mol
Exact Mass339.93
IUPAC Name2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
SMILESOc1ccc2nc(I)c(C(F)(F)F)nc2c1
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)7-8(13)15-5-2-1-4(16)3-6(5)14-7/h1-3,16H
InChIKeyPXDUZPZQAJVHRB-UHFFFAOYSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
CID 100950760
7-fluorophenazin-2-ol
CID 154115313
2,3-diiodoquinolin-6-ol
CID 174698607
3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
CID 123398426
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
7-methylphenazin-2-ol
CID 135430298
2,6-ditert-butyl-3-(trifluoromethyl)quinoxaline
CID 134415080
methyl 2-iodo-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)quinoxaline-6-carboxylate
CID 132819465
6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 105487475
2-(trifluoromethyl)-1,3-benzothiazol-5-ol
CID 84684346
4-[[3-(4-hydroxyanilino)-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenol
CID 136938461
2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid
CID 22341067

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol?
The IUPAC name of 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol (CID 148988087) is 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol.
What is the SMILES notation for 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol?
The canonical SMILES for 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol is Oc1ccc2nc(I)c(C(F)(F)F)nc2c1.
What is the InChIKey of 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol?
The InChIKey is PXDUZPZQAJVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2O/c10-9(11,12)7-8(13)15-5-2-1-4(16)3-6(5)14-7/h1-3,16H.
What are the key properties of 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol?
2-iodo-3-(trifluoromethyl)quinoxalin-6-ol has a molecular weight of 340.04 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-(trifluoromethyl)quinoxalin-6-ol is sourced from PubChem (CID 148988087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).