(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid

C8H9BrN2O3 — CID 142346603

IUPAC(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid
SMILESCn1cc(Br)c(CNC(=O)O)cc1=O
InChIInChI=1S/C8H9BrN2O3/c1-11-4-6(9)5(2-7(11)12)3-10-8(13)14/h2,4,10H,3H2,1H3,(H,13,14)
InChIKeyANSCHOUTSLQZGV-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.92
Rot. Bonds2

About (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid

(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid (PubChem CID 142346603) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid
PubChem CID142346603
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid
SMILESCn1cc(Br)c(CNC(=O)O)cc1=O
InChIInChI=1S/C8H9BrN2O3/c1-11-4-6(9)5(2-7(11)12)3-10-8(13)14/h2,4,10H,3H2,1H3,(H,13,14)
InChIKeyANSCHOUTSLQZGV-UHFFFAOYSA-N
XLogP0.92
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid?
The IUPAC name of (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid (CID 142346603) is (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid?
The canonical SMILES for (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid is Cn1cc(Br)c(CNC(=O)O)cc1=O.
What is the InChIKey of (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid?
The InChIKey is ANSCHOUTSLQZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-11-4-6(9)5(2-7(11)12)3-10-8(13)14/h2,4,10H,3H2,1H3,(H,13,14).
What are the key properties of (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid?
(5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid has a molecular weight of 261.07 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methyl-2-oxo-4-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 142346603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).