[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid

C7H4BrF3N2O2 — CID 118555555

IUPAC[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)5(12-2-3)13-6(14)15/h1-2H,(H,12,13)(H,14,15)
InChIKeyVAJDKFYBHVAORW-UHFFFAOYSA-N
MW285.02 g/mol
LogP2.95
Rot. Bonds1

About [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid

[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid (PubChem CID 118555555) has the molecular formula C7H4BrF3N2O2 and a molecular weight of 285.02 g/mol. Its IUPAC name is [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid
PubChem CID118555555
Molecular FormulaC7H4BrF3N2O2
Molecular Weight285.02 g/mol
Exact Mass283.94
IUPAC Name[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)5(12-2-3)13-6(14)15/h1-2H,(H,12,13)(H,14,15)
InChIKeyVAJDKFYBHVAORW-UHFFFAOYSA-N
XLogP2.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The IUPAC name of [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid (CID 118555555) is [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid is O=C(O)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The InChIKey is VAJDKFYBHVAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)5(12-2-3)13-6(14)15/h1-2H,(H,12,13)(H,14,15).
What are the key properties of [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid?
[5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid has a molecular weight of 285.02 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(trifluoromethyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118555555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).