5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide

C8H9BrN2O3 — CID 133061431

IUPAC5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(Br)cc1O
InChIInChI=1S/C8H9BrN2O3/c1-11(14-2)8(13)7-6(12)3-5(9)4-10-7/h3-4,12H,1-2H3
InChIKeySXFJJZVQZLWIKS-UHFFFAOYSA-N
MW261.07 g/mol
LogP1.18
Rot. Bonds2

About 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide

5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 133061431) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID133061431
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(Br)cc1O
InChIInChI=1S/C8H9BrN2O3/c1-11(14-2)8(13)7-6(12)3-5(9)4-10-7/h3-4,12H,1-2H3
InChIKeySXFJJZVQZLWIKS-UHFFFAOYSA-N
XLogP1.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide (CID 133061431) is 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide is CON(C)C(=O)c1ncc(Br)cc1O.
What is the InChIKey of 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is SXFJJZVQZLWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-11(14-2)8(13)7-6(12)3-5(9)4-10-7/h3-4,12H,1-2H3.
What are the key properties of 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide?
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 261.07 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 133061431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).