[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid

C7H4BrF3N2O3 — CID 121278856

IUPAC[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(Br)nc1OC(F)(F)F
InChIInChI=1S/C7H4BrF3N2O3/c8-4-2-1-3(12-6(14)15)5(13-4)16-7(9,10)11/h1-2,12H,(H,14,15)
InChIKeyVQYNANSOAYMYPY-UHFFFAOYSA-N
MW301.02 g/mol
LogP2.83
Rot. Bonds2

About [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid

[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid (PubChem CID 121278856) has the molecular formula C7H4BrF3N2O3 and a molecular weight of 301.02 g/mol. Its IUPAC name is [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid
PubChem CID121278856
Molecular FormulaC7H4BrF3N2O3
Molecular Weight301.02 g/mol
Exact Mass299.94
IUPAC Name[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(Br)nc1OC(F)(F)F
InChIInChI=1S/C7H4BrF3N2O3/c8-4-2-1-3(12-6(14)15)5(13-4)16-7(9,10)11/h1-2,12H,(H,14,15)
InChIKeyVQYNANSOAYMYPY-UHFFFAOYSA-N
XLogP2.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid (CID 121278856) is [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(Br)nc1OC(F)(F)F.
What is the InChIKey of [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid?
The InChIKey is VQYNANSOAYMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O3/c8-4-2-1-3(12-6(14)15)5(13-4)16-7(9,10)11/h1-2,12H,(H,14,15).
What are the key properties of [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid?
[6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid has a molecular weight of 301.02 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(trifluoromethoxy)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 121278856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).