5-bromo-N-methoxypyridine-3-carboxamide

C7H7BrN2O2 — CID 51279281

IUPAC5-bromo-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O2/c1-12-10-7(11)5-2-6(8)4-9-3-5/h2-4H,1H3,(H,10,11)
InChIKeyUENAHIKZBJUMNQ-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.14
Rot. Bonds2

About 5-bromo-N-methoxypyridine-3-carboxamide

5-bromo-N-methoxypyridine-3-carboxamide (PubChem CID 51279281) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 5-bromo-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methoxypyridine-3-carboxamide
PubChem CID51279281
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name5-bromo-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O2/c1-12-10-7(11)5-2-6(8)4-9-3-5/h2-4H,1H3,(H,10,11)
InChIKeyUENAHIKZBJUMNQ-UHFFFAOYSA-N
XLogP1.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(5-bromopyridine-3-carbonyl)amino]propanedioate
CID 33240132
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
3-bromo-5-iodo-N-methoxybenzamide
CID 90419041
methyl 3-(5-bromo-3-pyridinyl)-3-hydroxyprop-2-enoate
CID 170919729
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methoxypyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methoxypyridine-3-carboxamide (CID 51279281) is 5-bromo-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methoxypyridine-3-carboxamide is CONC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methoxypyridine-3-carboxamide?
The InChIKey is UENAHIKZBJUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-12-10-7(11)5-2-6(8)4-9-3-5/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-N-methoxypyridine-3-carboxamide?
5-bromo-N-methoxypyridine-3-carboxamide has a molecular weight of 231.05 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 51279281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).