2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid

C8H5Br2F3N2O2 — CID 171784076

IUPAC2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid
SMILESNNc1cc(C(F)(F)F)c(Br)c(Br)c1C(=O)O
InChIInChI=1S/C8H5Br2F3N2O2/c9-5-2(8(11,12)13)1-3(15-14)4(6(5)10)7(16)17/h1,15H,14H2,(H,16,17)
InChIKeyKPJZXYWGRFFRHU-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.21
Rot. Bonds2

About 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid

2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid (PubChem CID 171784076) has the molecular formula C8H5Br2F3N2O2 and a molecular weight of 377.94 g/mol. Its IUPAC name is 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid
PubChem CID171784076
Molecular FormulaC8H5Br2F3N2O2
Molecular Weight377.94 g/mol
Exact Mass375.87
IUPAC Name2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid
SMILESNNc1cc(C(F)(F)F)c(Br)c(Br)c1C(=O)O
InChIInChI=1S/C8H5Br2F3N2O2/c9-5-2(8(11,12)13)1-3(15-14)4(6(5)10)7(16)17/h1,15H,14H2,(H,16,17)
InChIKeyKPJZXYWGRFFRHU-UHFFFAOYSA-N
XLogP3.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid (CID 171784076) is 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid is NNc1cc(C(F)(F)F)c(Br)c(Br)c1C(=O)O.
What is the InChIKey of 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is KPJZXYWGRFFRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3N2O2/c9-5-2(8(11,12)13)1-3(15-14)4(6(5)10)7(16)17/h1,15H,14H2,(H,16,17).
What are the key properties of 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid?
2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 377.94 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-hydrazinyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 171784076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).