2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid

C8H9BrN2O3 — CID 69233778

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O3/c9-6-1-2-7(12)11(5-6)4-3-10-8(13)14/h1-2,5,10H,3-4H2,(H,13,14)
InChIKeyUQTRFTDPFNFWPX-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.88
Rot. Bonds3

About 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid

2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid (PubChem CID 69233778) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid
PubChem CID69233778
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCn1cc(Br)ccc1=O
InChIInChI=1S/C8H9BrN2O3/c9-6-1-2-7(12)11(5-6)4-3-10-8(13)14/h1-2,5,10H,3-4H2,(H,13,14)
InChIKeyUQTRFTDPFNFWPX-UHFFFAOYSA-N
XLogP0.88
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid (CID 69233778) is 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid is O=C(O)NCCn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid?
The InChIKey is UQTRFTDPFNFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c9-6-1-2-7(12)11(5-6)4-3-10-8(13)14/h1-2,5,10H,3-4H2,(H,13,14).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid?
2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid has a molecular weight of 261.07 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)ethylcarbamic acid is sourced from PubChem (CID 69233778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).