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

C7H7BrN2O3 — CID 135211046

IUPAC(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid
SMILESCn1cc(Br)cc(NC(=O)O)c1=O
InChIInChI=1S/C7H7BrN2O3/c1-10-3-4(8)2-5(6(10)11)9-7(12)13/h2-3,9H,1H3,(H,12,13)
InChIKeyCZGGEXFZUCSPQU-UHFFFAOYSA-N
MW247.05 g/mol
LogP1.24
Rot. Bonds1

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

(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid (PubChem CID 135211046) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid
PubChem CID135211046
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid
SMILESCn1cc(Br)cc(NC(=O)O)c1=O
InChIInChI=1S/C7H7BrN2O3/c1-10-3-4(8)2-5(6(10)11)9-7(12)13/h2-3,9H,1H3,(H,12,13)
InChIKeyCZGGEXFZUCSPQU-UHFFFAOYSA-N
XLogP1.24
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 51.24
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-3-pyridinyl)carbamic acid?
The IUPAC name of (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid (CID 135211046) is (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid.
What is the SMILES notation for (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid?
The canonical SMILES for (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid is Cn1cc(Br)cc(NC(=O)O)c1=O.
What is the InChIKey of (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid?
The InChIKey is CZGGEXFZUCSPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-10-3-4(8)2-5(6(10)11)9-7(12)13/h2-3,9H,1H3,(H,12,13).
What are the key properties of (5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid?
(5-bromo-1-methyl-2-oxo-3-pyridinyl)carbamic acid has a molecular weight of 247.05 g/mol, XLogP of 1.24, 1 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-3-pyridinyl)carbamic acid is sourced from PubChem (CID 135211046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).