2-bromo-N-methoxy-6-methylpyridine-3-carboxamide

C8H9BrN2O2 — CID 131155875

IUPAC2-bromo-N-methoxy-6-methylpyridine-3-carboxamide
SMILESCONC(=O)c1ccc(C)nc1Br
InChIInChI=1S/C8H9BrN2O2/c1-5-3-4-6(7(9)10-5)8(12)11-13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyNDEVIOKNTCLCFO-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.44
Rot. Bonds2

About 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide

2-bromo-N-methoxy-6-methylpyridine-3-carboxamide (PubChem CID 131155875) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methoxy-6-methylpyridine-3-carboxamide
PubChem CID131155875
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-bromo-N-methoxy-6-methylpyridine-3-carboxamide
SMILESCONC(=O)c1ccc(C)nc1Br
InChIInChI=1S/C8H9BrN2O2/c1-5-3-4-6(7(9)10-5)8(12)11-13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyNDEVIOKNTCLCFO-UHFFFAOYSA-N
XLogP1.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide (CID 131155875) is 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide is CONC(=O)c1ccc(C)nc1Br.
What is the InChIKey of 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide?
The InChIKey is NDEVIOKNTCLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-5-3-4-6(7(9)10-5)8(12)11-13-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide?
2-bromo-N-methoxy-6-methylpyridine-3-carboxamide has a molecular weight of 245.08 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methoxy-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 131155875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).