[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid

C7H5BrF2N2O3 — CID 170434763

IUPAC[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C7H5BrF2N2O3/c8-3-1-4(11-7(14)15)5(13)12(2-3)6(9)10/h1-2,6,11H,(H,14,15)
InChIKeyUEVJFZIOCYWBKD-UHFFFAOYSA-N
MW283.03 g/mol
LogP2.10
Rot. Bonds2

About [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid

[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid (PubChem CID 170434763) has the molecular formula C7H5BrF2N2O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid
PubChem CID170434763
Molecular FormulaC7H5BrF2N2O3
Molecular Weight283.03 g/mol
Exact Mass281.95
IUPAC Name[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Br)cn(C(F)F)c1=O
InChIInChI=1S/C7H5BrF2N2O3/c8-3-1-4(11-7(14)15)5(13)12(2-3)6(9)10/h1-2,6,11H,(H,14,15)
InChIKeyUEVJFZIOCYWBKD-UHFFFAOYSA-N
XLogP2.10
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid?
The IUPAC name of [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid (CID 170434763) is [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid.
What is the SMILES notation for [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid?
The canonical SMILES for [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid is O=C(O)Nc1cc(Br)cn(C(F)F)c1=O.
What is the InChIKey of [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid?
The InChIKey is UEVJFZIOCYWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O3/c8-3-1-4(11-7(14)15)5(13)12(2-3)6(9)10/h1-2,6,11H,(H,14,15).
What are the key properties of [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid?
[5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid has a molecular weight of 283.03 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(difluoromethyl)-2-oxo-3-pyridinyl]carbamic acid is sourced from PubChem (CID 170434763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).