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

C8H8BrFN2O2 — CID 133054949

IUPAC3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(F)cc1Br
InChIInChI=1S/C8H8BrFN2O2/c1-12(14-2)8(13)7-6(9)3-5(10)4-11-7/h3-4H,1-2H3
InChIKeyKFJMSJTVWWKIRG-UHFFFAOYSA-N
MW263.07 g/mol
LogP1.62
Rot. Bonds2

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

3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 133054949) has the molecular formula C8H8BrFN2O2 and a molecular weight of 263.07 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
PubChem CID133054949
Molecular FormulaC8H8BrFN2O2
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
SMILESCON(C)C(=O)c1ncc(F)cc1Br
InChIInChI=1S/C8H8BrFN2O2/c1-12(14-2)8(13)7-6(9)3-5(10)4-11-7/h3-4H,1-2H3
InChIKeyKFJMSJTVWWKIRG-UHFFFAOYSA-N
XLogP1.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide (CID 133054949) is 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide is CON(C)C(=O)c1ncc(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is KFJMSJTVWWKIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O2/c1-12(14-2)8(13)7-6(9)3-5(10)4-11-7/h3-4H,1-2H3.
What are the key properties of 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide?
3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 263.07 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 133054949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).