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

C8H9BrN2O3 — CID 135211040

IUPAC(5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-10-4-5(9)3-6(7(10)12)11(2)8(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyCCFWJRDJEUTPAJ-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.26
Rot. Bonds1

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

(5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid (PubChem CID 135211040) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
PubChem CID135211040
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Br)cn(C)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-10-4-5(9)3-6(7(10)12)11(2)8(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyCCFWJRDJEUTPAJ-UHFFFAOYSA-N
XLogP1.26
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 60627635
Methyl-(1-methyl-6-oxo-3-pyridinyl)carbamic acid
CID 89156397
tert-butyl N-(5-bromo-1-methyl-2-oxopyridin-3-yl)-N-ethylcarbamate
CID 118021567
Tert-butyl 5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl(methyl)carbamate
CID 118022858
N-(5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide
CID 131063416
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid
CID 135211046
(5-Bromo-1-methyl-2-oxo-3-pyridinyl)-ethylcarbamic acid
CID 135211047
2-methylbutan-2-yl N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-N-methylcarbamate
CID 145148327
5-Bromo-3-(dimethylamino)-1-methylpyridin-2-one
CID 146525063
2-(4-bromo-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 166541118
(5-bromo-2-oxo-1H-pyridin-3-yl)carbamic acid
CID 170434789
2-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetic acid
CID 43245240

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid?
The IUPAC name of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid (CID 135211040) is (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid.
What is the SMILES notation for (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid?
The canonical SMILES for (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid is CN(C(=O)O)c1cc(Br)cn(C)c1=O.
What is the InChIKey of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid?
The InChIKey is CCFWJRDJEUTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-10-4-5(9)3-6(7(10)12)11(2)8(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of (5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid?
(5-bromo-1-methyl-2-oxo-3-pyridinyl)-methylcarbamic acid has a molecular weight of 261.07 g/mol, XLogP of 1.26, 1 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)-methylcarbamic acid is sourced from PubChem (CID 135211040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).