(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid

C9H11BrN2O3 — CID 135211047

IUPAC(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C9H11BrN2O3/c1-3-12(9(14)15)7-4-6(10)5-11(2)8(7)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNQIPNGBKGZIAOP-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.65
Rot. Bonds2

About (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid

(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid (PubChem CID 135211047) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid
PubChem CID135211047
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C9H11BrN2O3/c1-3-12(9(14)15)7-4-6(10)5-11(2)8(7)13/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyNQIPNGBKGZIAOP-UHFFFAOYSA-N
XLogP1.65
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid?
The IUPAC name of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid (CID 135211047) is (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid.
What is the SMILES notation for (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid?
The canonical SMILES for (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid is CCN(C(=O)O)c1cc(Br)cn(C)c1=O.
What is the InChIKey of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid?
The InChIKey is NQIPNGBKGZIAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-3-12(9(14)15)7-4-6(10)5-11(2)8(7)13/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid?
(5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid has a molecular weight of 275.10 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid is sourced from PubChem (CID 135211047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).